% maximum response (binding)
|
= 30.6 %
|
Inhibition of Pgp expressed in MDR1-MDCKII cells measured by calcein-AM assay
|
ChEMBL.
|
11602674
|
Activity (ADMET)
|
|
Clinically relevant inducers of human liver microsomal P450 enzymes, isoform CYP3A4
|
ChEMBL.
|
No reference
|
Activity (functional)
|
|
Antimicrobial activity against chloroquine-resistant Plasmodium chabaudi ASCQ infected in NIH mice (Mus musculus) assessed as potentiation of 2.5 mg/kg chloroquine-mediated antimalarial activity at 100 mg/kg, perorally administered after 72 hrs post inoculation measured on day 4 post infection
|
ChEMBL.
|
18443126
|
Activity (ADMET)
|
|
Clinically relevant inhibitors of human liver microsomal P450 enzymes, isoform CYP3A4
|
ChEMBL.
|
No reference
|
Activity (functional)
|
|
TP_TRANSPORTER: transepithelial transport (basal to apical) in MDR1-expressing LLC-PK1 cells
|
ChEMBL.
|
9435299
|
Activity (functional)
|
|
TP_TRANSPORTER: increase in brain concentration in mdr1a(-/-) mouse
|
ChEMBL.
|
9435299
|
Activity (functional)
|
|
Antimicrobial activity against chloroquine-resistant Plasmodium falciparum 3D7 infected in human erythrocytes assessed as potentiation of choloroquine-mediated antimalarial activity by light microscopy
|
ChEMBL.
|
18443126
|
Activity (functional)
|
|
Antimicrobial activity against chloroquine-resistant Plasmodium falciparum Dd2 infected in human erythrocytes assessed as potentiation of choloroquine-mediated antimalarial activity by light microscopy
|
ChEMBL.
|
18443126
|
Activity (functional)
|
|
TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.5 uM, Nelfinavir: 10 uM) in OATP-C-expressing HeLa cells
|
ChEMBL.
|
12490595
|
Activity (functional)
|
|
TP_TRANSPORTER: Western blot, LS-180V
|
ChEMBL.
|
10894301
|
Activity (ADMET)
|
= 2.7 %
|
Permeability from apical to basolateral side of human Caco-2 cells assessed as ratio of prodrug concentration in receiver to prodrug concentration in donor at 80 uM in donor chamber after 3 hrs
|
ChEMBL.
|
17950955
|
Activity (ADMET)
|
= 6.3 %
|
Permeability from basolateral to apical side of human Caco-2 cells assessed as ratio of prodrug concentration in receiver to prodrug concentration in donor at 80 uM in donor chamber after 3 hrs
|
ChEMBL.
|
17950955
|
Activity (ADMET)
|
= 9 %
|
Effect on tenofovir disoproxil fumarate metabolism in ritonavir booster drug treated healthy human assessed as change in plasma Cmin of tenofovir at 1250 mg, po, BID co-administered with 300 mg once daily dose of tenofovir disoproxil fumarate
|
ChEMBL.
|
17664327
|
Activity (functional)
|
= 30 %
|
TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in Caco-2 cells
|
ChEMBL.
|
12699389
|
Activity (functional)
|
= 81 %
|
TP_TRANSPORTER: inhibition of Fexofenadine uptake (Fexofenadine: 2 uM, Nelfinavir: 100 uM) in Xenopus laevis oocytes
|
ChEMBL.
|
10421612
|
Activity (functional)
|
= 6.2 nM/mg*min
|
Inhibition of P-glycoprotein using ATPase in MDR1 membranes
|
ChEMBL.
|
12699389
|
Activity (functional)
|
= 6.2 nM/mg*min
|
Inhibition of P-glycoprotein using ATPase in MDR1 membranes
|
ChEMBL.
|
12699389
|
CC50 (ADMET)
|
= 11000 nM
|
Cytotoxicity against human MT4 cells by MTT assay
|
ChEMBL.
|
18426195
|
CC50 (ADMET)
|
= 8 uM
|
Cytotoxicity against human MT4 cells after 6 days by MTT assay
|
ChEMBL.
|
17638694
|
CC50 (ADMET)
|
= 8.1 uM
|
Cytotoxicity against human MT2 cells assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
CC50 (ADMET)
|
= 8.1 uM
|
Cytotoxicity against human MT2 cells assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
CC50 (ADMET)
|
= 19.1 uM
|
Cytotoxicity against human MT2 cells assessed as reduction in cell viability after 5 days by XTT assay
|
ChEMBL.
|
No reference
|
cLogP |
= 5.84
|
Partition coefficient in octanol/water
|
ChEMBL.
|
15993582
|
EC50 (functional)
|
= 19 nM
|
Antiviral activity against HIV1 3B
|
ChEMBL.
|
17981045
|
EC50 (functional)
|
= 293 nM
|
Antiviral activity against HIV1 3B in presence of 50% human serum
|
ChEMBL.
|
17981045
|
EC50 (functional)
|
= 0.0054 uM
|
Antiviral activity against wild type HIV1
|
ChEMBL.
|
17981045
|
EC50 (functional)
|
= 0.015 uM
|
Antiviral activity against wild type HIV1 ERS104prc X4 in phytohemagglutinin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.018 uM
|
Antiviral activity against HIV1 BaL R5 subtype B in phytohemagglutinin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.029 uM
|
Antiviral activity against HIV1 92TH019 R5 subtype E in phytohemagglutinin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.03 uM
|
Antiviral activity against HIV2 EHO in MT2 cells assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.032 uM
|
Antiviral activity against HIV1 LAI in MT2 cells assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.033 uM
|
Antiviral activity against HIV1 NL4-3 in MT4 cells by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.037 uM
|
Antiviral activity against HIV1 97ZA003 R5 subtype C in phytohemagglutinin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.043 uM
|
Antiviral activity against HIV1 92UG029 X4 subtype A in phytohemagglutinin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.056 uM
|
Antiviral activity against HIV1 92UG037 subtype A R5 in phytohemagglutinin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.08 uM
|
Antiviral activity against HIV1 GRL98065p20 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.21 uM
|
Antiviral activity against ritonavir-resistant HIV1 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.22 uM
|
Antiviral activity against amprenavir-resistant HIV1 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.24 uM
|
Antiviral activity against HIV2 ROD in MT2 cells assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.27 uM
|
Antiviral activity against atazanavir-resistant HIV1 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.27 uM
|
Antiviral activity against HIV1 GRL98065p30 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.34 uM
|
Antiviral activity against HIV1 GRL98065p40 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.346 uM
|
Antiviral activity against HIV1 mutant strain 2
|
ChEMBL.
|
17981045
|
EC50 (functional)
|
= 0.37 uM
|
Antiviral activity against HIV1 MDR/G X4 in phytohemagglutinin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.413 uM
|
Antiviral activity against HIV1 mutant strain 3
|
ChEMBL.
|
17981045
|
EC50 (functional)
|
= 0.42 uM
|
Antiviral activity against HIV1 MDR/C X4 in phytohemagglutinin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.452 uM
|
Antiviral activity against HIV1 mutant strain 1
|
ChEMBL.
|
17981045
|
EC50 (functional)
|
= 0.47 uM
|
Antiviral activity against idinavir-resistant HIV1 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.48 uM
|
Antiviral activity against saquinavir-resistant HIV1 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.49 uM
|
Antiviral activity against lopinavir-resistant HIV1 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
= 0.515 uM
|
Antiviral activity against HIV1 mutant strain 7
|
ChEMBL.
|
17981045
|
EC50 (functional)
|
= 0.776 uM
|
Antiviral activity against HIV1 mutant strain 5
|
ChEMBL.
|
17981045
|
EC50 (functional)
|
> 1 uM
|
Antiviral activity against nelfinavir-resistant HIV1 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
> 1 uM
|
Antiviral activity against HIV1 MDR/TM X4 in phytohemagglutinin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
> 1 uM
|
Antiviral activity against HIV1 MDR/MM R5 in phytohemagglutinin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
> 1 uM
|
Antiviral activity against HIV1 MDR/JSL R5 in phytohemagglutinin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
> 1 uM
|
Antiviral activity against HIV1 MDR/B X4 in phytohemagglutinin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay
|
ChEMBL.
|
17371811
|
EC50 (functional)
|
> 1.5 uM
|
Antiviral activity against HIV1 mutant strain 4
|
ChEMBL.
|
17981045
|
EC50 (functional)
|
> 1.5 uM
|
Antiviral activity against HIV1 mutant strain 6
|
ChEMBL.
|
17981045
|
EC50 (functional)
|
= 12 uM
|
Antitrypanosomal activity against Trypanosoma cruzi amastigotes infected in BESM cells measured after 88 hrs postinfection by HTS assay
|
ChEMBL.
|
20547819
|
ED50 (functional)
|
= 0.02 uM
|
Anti-HIV-1 activity against Wild type virus in MT-4 cells
|
ChEMBL.
|
11543677
|
ED50 (functional)
|
= 0.02 uM
|
Anti-HIV-1 activity against Wild type virus in MT-4 cells
|
ChEMBL.
|
11543677
|
ED50 (functional)
|
= 0.02 uM
|
Effective dose of compound required to inhibit replication of human immunodeficiency virus type 1 in MT-4 cells
|
ChEMBL.
|
15537350
|
ED50 (functional)
|
= 0.056 uM
|
Compound was evaluated for Antiviral activity against HIV-1
|
ChEMBL.
|
11585445
|
ED50 (functional)
|
= 0.07 uM
|
Anti-HIV-1 activity against mutant HIV-1 in MT-4 cells (mutation selected with compound 1)
|
ChEMBL.
|
11543677
|
ED50 (functional)
|
= 0.07 uM
|
Anti-HIV-1 activity against mutant HIV-1 in MT-4 cells (mutation selected with compound 1)
|
ChEMBL.
|
11543677
|
ED50 (functional)
|
= 0.11 uM
|
Anti-HIV-1 activity against mutant HIV-1 in MT-4 cells (mutation selected with ritonavir)
|
ChEMBL.
|
11543677
|
ED50 (functional)
|
= 0.11 uM
|
Anti-HIV-1 activity against mutant HIV-1 in MT-4 cells (mutation selected with ritonavir)
|
ChEMBL.
|
11543677
|
ED50 (functional)
|
= 0.12 uM
|
Anti-HIV-1 activity against mutant HIV-1 in MT-4 cells (mutation selected with saquinavir)
|
ChEMBL.
|
11543677
|
ED50 (functional)
|
= 0.12 uM
|
Anti-HIV-1 activity against mutant HIV-1 in MT-4 cells (mutation selected with saquinavir)
|
ChEMBL.
|
11543677
|
ED50 (functional)
|
= 2.44 uM
|
Anti-HIV-1 activity against mutant HIV-1 in MT-4 cells (mutation selected with nelfinavir)
|
ChEMBL.
|
11543677
|
ED50 (functional)
|
= 2.44 uM
|
Anti-HIV-1 activity against mutant HIV-1 in MT-4 cells (mutation selected with nelfinavir)
|
ChEMBL.
|
11543677
|
Fabs (ADMET)
|
= 3 %
|
Fraction absorbed in human
|
ChEMBL.
|
21051535
|
Fold change (functional)
|
= 4
|
Resistance to HIV1 with protease 46M, 54I and I84V mutation in HEK 293 cells relative to similar background
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 9
|
Resistance to HIV1 with protease 46I, 54I and I84V mutation in HEK 293 cells relative to similar background
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 15
|
Antiviral activity against HIV1 C1 isolate with protease I84C mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 16
|
Resistance to HIV1 with protease 46I, 54V and I84V mutation in HEK 293 cells relative to similar background
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 51
|
Antiviral activity against HIV1 C5 isolate with protease I84C mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 59
|
Antiviral activity against HIV1 C2 isolate with protease I84C mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 64
|
Antiviral activity against HIV1 A6 isolate with protease I84A mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 70
|
Antiviral activity against HIV1 C9 isolate with protease I84C mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 74
|
Antiviral activity against HIV1 C3 isolate with protease I84C mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 74
|
Resistance to HIV1 with protease 46M, 54I and I84C mutation in HEK 293 cells relative to similar background
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 86
|
Antiviral activity against HIV1 C8 isolate with protease I84C mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 91
|
Antiviral activity against HIV1 C11 isolate with protease I84C mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 115
|
Resistance to HIV1 with protease 46I/L, 54I and I84C mutation in HEK 293 cells relative to similar background
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 144
|
Antiviral activity against HIV1 C6 isolate with protease I84C mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 196
|
Antiviral activity against HIV1 A13 isolate with protease I84A mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 210
|
Antiviral activity against HIV1 A14 isolate with protease I84A mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 286
|
Antiviral activity against HIV1 C10 isolate with protease I84C mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 395
|
Antiviral activity against HIV1 C4 isolate with protease I84C mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 600
|
Antiviral activity against HIV1 A1 isolate with protease I84A mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 600
|
Antiviral activity against HIV1 A2 isolate with protease I84A mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 600
|
Antiviral activity against HIV1 A3 isolate with protease I84A mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 600
|
Antiviral activity against HIV1 A4 isolate with protease I84A mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 600
|
Antiviral activity against HIV1 A5 isolate with protease I84A mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 600
|
Antiviral activity against HIV1 A7 isolate with protease I84A mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 600
|
Antiviral activity against HIV1 A8 isolate with protease I84A mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 600
|
Antiviral activity against HIV1 A9 isolate with protease I84A mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 600
|
Antiviral activity against HIV1 A10 isolate with protease I84A mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 600
|
Antiviral activity against HIV1 A11 isolate with protease I84A mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 600
|
Antiviral activity against HIV1 A12 isolate with protease I84A mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 600
|
Antiviral activity against HIV1 A15 isolate with protease I84A mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
= 600
|
Antiviral activity against HIV1 C7 isolate with protease I84C mutation in HEK 293 cells relative to wild type
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
> 600
|
Resistance to HIV1 with protease 46I, 54I and I84A mutation in HEK 293 cells relative to similar background
|
ChEMBL.
|
17101675
|
Fold change (functional)
|
> 600
|
Resistance to HIV1 with protease 46I, 54M/V and I84A mutation in HEK 293 relative to similar background
|
ChEMBL.
|
17101675
|
IC50 (binding)
|
|
DRUGMATRIX: Angiotensin AT2 radioligand binding (ligand: [125I] CGP-42112A)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Phosphodiesterase PDE5 enzyme inhibition (substrate: [3H]cGMP + cGMP)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Protease, Cathepsin G enzyme inhibition (substrate: Suc-Ala-Ala-Pro-Phe-AMC)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Calcitonin radioligand binding (ligand: [125I] Calcitonin (salmon))
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Nitric Oxide Synthase, Inducible (iNOS) enzyme inhibition (substrate: L-Arginine)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Neuropeptide Y Y2 radioligand binding (ligand: [125I] Peptide YY)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Chemokine CXCR1 (IL-8A)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Vascular Endothelial Growth Factor (VEGF) radioligand binding (ligand: [125I] VEGF)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Cholecystokinin CCKA radioligand binding (ligand: [3H] L-364,718)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Bradykinin B2 radioligand binding (ligand: [3H] Bradykinin)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: CYP450, 2A6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Insulin radioligand binding (ligand: [125I] Insulin)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: CYP450, 2E1 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Neuropeptide Y Y1 radioligand binding (ligand: [125I] Peptide YY)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Peptidase, Angiotensin Converting Enzyme enzyme inhibition (substrate: FAPGG)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Peptidase, ELA2 (Neutrophil Elastase 2) enzyme inhibition (substrate: N-MeOSuc-Ala-Ala-Pro-Val-pNA)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Peptidase, Matrix Metalloprotease-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA))
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Platelet Activating Factor (PAF) radioligand binding (ligand: [3H] PAF)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Protein Serine/Threonine Phosphatase, PPP3CA (Calcineurin, PP2B) enzyme inhibition (substrate: DiFMUP)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Leukotriene LTC4 Synthase enzyme inhibition (substrate: LTA4)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Estrogen ERbeta radioligand binding (ligand: [3H] Estradiol)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Vasoactive Intestinal Peptide VIP1 radioligand binding (ligand: [125I] VIP)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Glycine, Strychnine-Sensitive radioligand binding (ligand: [3H] Strychnine)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Nitric Oxide Synthase, Neuronal (nNOS) radioligand binding (ligand: [3H]L-Arginine)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase PKCalpha enzyme inhibition (substrate: Histone)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
= 4.1
|
Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
|
LITERATURE.
|
25087753
|
IC50 (functional)
|
= 7 nM
|
Antiviral activity against HIV1 BA-L isolate in human PHA-PBMC cells
|
ChEMBL.
|
16913714
|
IC50 (functional)
|
= 10 nM
|
Antiviral activity against HIV1 LAI isolate in human MT2 cells
|
ChEMBL.
|
16913714
|
IC50 (functional)
|
= 14 nM
|
Antiviral activity against HIV1 LAI isolate in human PHA-PBMC cells
|
ChEMBL.
|
16913714
|
IC50 (functional)
|
= 20 nM
|
Antiviral activity against HIV2 EHO isolate in human MT2 cells
|
ChEMBL.
|
16913714
|
IC50 (functional)
|
= 32 nM
|
Antiviral activity against multi drug-resistant HIV1 ET variant in human PHA-PBMC cells
|
ChEMBL.
|
16913714
|
IC50 (functional)
|
= 170 nM
|
Antiviral activity against multi drug-resistant HIV1 G variant in human PHA-PBMC cells
|
ChEMBL.
|
16913714
|
IC50 (functional)
|
= 310 nM
|
Antiviral activity against multi drug-resistant HIV1 C variant in human PHA-PBMC cells
|
ChEMBL.
|
16913714
|
IC50 (functional)
|
= 320 nM
|
Antiviral activity against wild-type HIV virus (HXB2) was determined in MT-4 cell line
|
ChEMBL.
|
15013001
|
IC50 (functional)
|
= 320 nM
|
Inhibitory concentration against wild type Human immuno defeciency virus (HXB2) was determined in an MT-4 cell line
|
ChEMBL.
|
15990305
|
IC50 (functional)
|
= 320 nM
|
Antiviral activity against HIV1 HXB2 in MT4 cells
|
ChEMBL.
|
16458505
|
IC50 (functional)
|
= 320 nM
|
Antiviral activity against wild-type HIV virus (HXB2) was determined in MT-4 cell line
|
ChEMBL.
|
15013001
|
IC50 (functional)
|
= 320 nM
|
Antiviral activity against HIV1 HXB2 in MT4 cells
|
ChEMBL.
|
16458505
|
IC50 (functional)
|
= 450 nM
|
Antiviral activity against PI resistant virus EP13 was determined in MT-4 cell line
|
ChEMBL.
|
15013001
|
IC50 (functional)
|
= 450 nM
|
Inhibitory concentration against wild type Human immuno defeciency virus (EP13) was determined in an MT-4 cell line
|
ChEMBL.
|
15990305
|
IC50 (functional)
|
= 450 nM
|
Antiviral activity against HIV1 EP13 in MT4 cells
|
ChEMBL.
|
16458505
|
IC50 (functional)
|
= 450 nM
|
Antiviral activity against PI resistant virus EP13 was determined in MT-4 cell line
|
ChEMBL.
|
15013001
|
IC50 (functional)
|
= 450 nM
|
Antiviral activity against HIV1 EP13 in MT4 cells
|
ChEMBL.
|
16458505
|
IC50 (functional)
|
> 1000 nM
|
Antiviral activity against PI resistant virus D545701 was determined in MT-4 cell line
|
ChEMBL.
|
15013001
|
IC50 (functional)
|
> 1000 nM
|
Inhibitory concentration against wild type Human immuno defeciency virus (D545701) was determined in an MT-4 cell line
|
ChEMBL.
|
15990305
|
IC50 (functional)
|
> 1000 nM
|
Antiviral activity against HIV D545701 in MT4 cells
|
ChEMBL.
|
16458505
|
IC50 (functional)
|
> 1000 nM
|
Antiviral activity against multi drug-resistant HIV1 K variant in human PHA-PBMC cells
|
ChEMBL.
|
16913714
|
IC50 (functional)
|
> 1000 nM
|
Antiviral activity against multi drug-resistant HIV1 ES variant in human PHA-PBMC cells
|
ChEMBL.
|
16913714
|
IC50 (functional)
|
> 1000 nM
|
Antiviral activity against multi drug-resistant HIV1 EV variant in human PHA-PBMC cells
|
ChEMBL.
|
16913714
|
IC50 (functional)
|
> 1000 nM
|
Antiviral activity against multi drug-resistant HIV1 TM variant in human PHA-PBMC cells
|
ChEMBL.
|
16913714
|
IC50 (functional)
|
> 1000 nM
|
Antiviral activity against multi drug-resistant HIV1 B variant in human PHA-PBMC cells
|
ChEMBL.
|
16913714
|
IC50 (functional)
|
> 1000 nM
|
Antiviral activity against PI resistant virus D545701 was determined in MT-4 cell line
|
ChEMBL.
|
15013001
|
IC50 (functional)
|
> 1000 nM
|
Antiviral activity against HIV D545701 in MT4 cells
|
ChEMBL.
|
16458505
|
IC50 (functional)
|
= uM
|
Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay
|
ChEMBL.
|
12699389
|
IC50 (functional)
|
= 0 uM
|
Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay
|
ChEMBL.
|
12699389
|
IC50 (binding)
|
= 0.0019 uM
|
Inhibition of recombinant wild type HIV1 protease assessed as hydrolysis of fluorogenic substrate
|
ChEMBL.
|
20108932
|
IC50 (binding)
|
= 0.009 uM
|
Inhibition of wild type HIV-1 protease assessed as hydrolysis of fluorogenic substrate Abz-Thr-Ile-Nle-Phe(NO2)-Gln-Arg after 10 mins by fluorescence assay
|
ChEMBL.
|
22414613
|
IC50 (functional)
|
= 0.01 uM
|
Antiviral activity against HIV1 isolate 5512 with M36I/M and V82T mutation in CBMCs
|
ChEMBL.
|
17116674
|
IC50 (functional)
|
= 0.014 uM
|
Antiviral activity against wild type HIV1 in CBMCs
|
ChEMBL.
|
17116674
|
IC50 (functional)
|
= 0.031 uM
|
Antiviral activity against HIV1 isolate 5512 with V321 and M46L mutation in CBMCs
|
ChEMBL.
|
17116674
|
IC50 (functional)
|
= 0.05 uM
|
Compound was evaluated for its antiviral inhibition in MT-4 cell culture
|
ChEMBL.
|
10866371
|
IC50 (functional)
|
= 0.05 uM
|
Compound was evaluated for its antiviral inhibition in MT-4 cell culture
|
ChEMBL.
|
10866371
|
IC50 (functional)
|
= 0.064 uM
|
Antiviral activity against wild type HIV2 in CBMCs
|
ChEMBL.
|
17116674
|
IC50 (functional)
|
= 0.106 uM
|
Antiviral activity against HIV2 isolate CBL20, CBL23, MVP15132 with 182L mutation in CBMCs
|
ChEMBL.
|
17116674
|
IC50 (functional)
|
= 0.132 uM
|
Antiviral activity against HIV2 isolate CBL20, CBL23, MVP15132 with 150V mutation in CBMCs
|
ChEMBL.
|
17116674
|
IC50 (functional)
|
= 0.244 uM
|
Antiviral activity against HIV2 isolate CBL20, CBL23, MVP15132 with 182F mutation in CBMCs
|
ChEMBL.
|
17116674
|
IC50 (functional)
|
= 0.35 uM
|
Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCEC
|
ChEMBL.
|
12699389
|
IC50 (functional)
|
= 0.35 uM
|
Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCEC
|
ChEMBL.
|
12699389
|
IC50 (binding)
|
= 0.53 uM
|
Compound was tested for inhibitory activity against HIV-1 protease
|
ChEMBL.
|
12067556
|
IC50 (ADMET)
|
= 0.55 uM
|
Inhibition of human cytochrome P450 3A4
|
ChEMBL.
|
12699389
|
IC50 (ADMET)
|
= 0.55 uM
|
Inhibition of human cytochrome P450 3A4
|
ChEMBL.
|
12699389
|
IC50 (functional)
|
= 0.624 uM
|
Antiviral activity against HIV2 isolate CBL20, CBL23, MVP15132 with 154M mutation in CBMCs
|
ChEMBL.
|
17116674
|
IC50 (functional)
|
= 0.677 uM
|
Antiviral activity against HIV1 isolate 5512 with D30N, M461 and V771 mutation in CBMCs
|
ChEMBL.
|
17116674
|
IC50 (functional)
|
= 0.961 uM
|
Antiviral activity against HIV2 isolate CBL20, CBL23, MVP15132 with V62A and L99F mutation in CBMCs
|
ChEMBL.
|
17116674
|
IC50 (functional)
|
= 1.4 uM
|
TP_TRANSPORTER: inhibition of Daunorubicin transepithelial transport (basal to apical) (Daunorubicin: 5 uM) in Caco-2 cells
|
ChEMBL.
|
10820137
|
IC50 (functional)
|
= 1.747 uM
|
Antiviral activity against HIV2 isolate CBL20, CBL23, MVP15132 with 154M and 184V mutation in CBMCs
|
ChEMBL.
|
17116674
|
IC50 (binding)
|
= 2 uM
|
DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
= 2.241 uM
|
Antiviral activity against HIV2 isolate CBL20, CBL23, MVP15132 with 154M and L99F mutation in CBMCs
|
ChEMBL.
|
17116674
|
IC50 (functional)
|
= 2.3 uM
|
Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay
|
ChEMBL.
|
12699389
|
IC50 (functional)
|
= 2.3 uM
|
Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay
|
ChEMBL.
|
12699389
|
IC50 (functional)
|
= 2.3 uM
|
TP_TRANSPORTER: inhibition of Calcein-AM efflux in Mdr1a-expressing LLC-PK1 cells
|
ChEMBL.
|
12699389
|
IC50 (functional)
|
= 2.564 uM
|
Antiviral activity against HIV2 isolate CBL20, CBL23, MVP15132 with 154M and L90M mutation in CBMCs
|
ChEMBL.
|
17116674
|
IC50 (functional)
|
= 3.4 uM
|
Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay
|
ChEMBL.
|
12699389
|
IC50 (functional)
|
= 3.4 uM
|
Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay
|
ChEMBL.
|
12699389
|
IC50 (functional)
|
= 3.4 uM
|
TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cells
|
ChEMBL.
|
12699389
|
IC50 (binding)
|
= 7.971 uM
|
DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
= 8.852 uM
|
DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
= 9.62 uM
|
DNDI: Leish (axenic) in Vitro, 72 hour
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
= 10.23 uM
|
DNDI: Chagas in Vitro, 96 hour
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
= 10.44 uM
|
DNDI: Malaria in Vitro, 72 hour
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
= 12.5 uM
|
TP_TRANSPORTER: increase in mitoxantrone intracellular accumulation in BCRP-expressing HEK cells
|
ChEMBL.
|
15007102
|
IC50 (binding)
|
= 12.935 uM
|
DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
= 13.797 uM
|
DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
= 14.432 uM
|
DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
= 14.796 uM
|
DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
= 15.525 uM
|
DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
= 18.224 uM
|
DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
= 19.9 uM
|
Inhibition of human MDR1-dependent accumulation of calcein-AM expressed in MDCK2 cells
|
ChEMBL.
|
17664327
|
IC50 (functional)
|
= 20.25 uM
|
DNDI: Leish (macro) in Vitro, 96 hour
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
= 20.61 uM
|
DNDI: HAT in Vitro, 72 hour
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
= 21.11 uM
|
DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
= 21.8 uM
|
TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in OCT1-expressing HeLa cells
|
ChEMBL.
|
10681378
|
IC50 (binding)
|
= 22.503 uM
|
DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
= 29.38 uM
|
DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
= 34.08 uM
|
DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
= 35.996 uM
|
DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
= 36.389 uM
|
DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
= 44.5 uM
|
DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
= 55.629 uM
|
DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
= 66.149 uM
|
DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
= 79.166 uM
|
DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
= 86.074 uM
|
DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)
|
ChEMBL.
|
No reference
|
IC50 (binding)
|
= 144 uM
|
Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100
|
ChEMBL.
|
20426472
|
IC50 (binding)
|
> 300 uM
|
Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in presence of 0.01% Triton X-100
|
ChEMBL.
|
20426472
|
Inhibition (binding)
|
= 29 %
|
Inhibition of HIV1 protease at 1 nM
|
ChEMBL.
|
18426195
|
Inhibition (functional)
|
= 30 %
|
Inhibition of P-gp was determined using rhodamine-assay in human CaCo-2 cells
|
ChEMBL.
|
12699389
|
Inhibition (functional)
|
= 30 %
|
Inhibition of P-gp was determined using rhodamine-assay in human CaCo-2 cells
|
ChEMBL.
|
12699389
|
Inhibition (binding)
|
= 48 %
|
Inhibition of ACE (unknown origin) assessed as 3-Hydroxybutyril-glycil-glycil-glycine conversion to 3-hydroxybutyric acid at 500 uM after 60 mins by WST assay relative to control
|
ChEMBL.
|
24088053
|
Inhibition (binding)
|
= 50 %
|
Inhibition of human MDR1-dependent accumulation of calcein-AM expressed in MDCK2 cells at 20 uM
|
ChEMBL.
|
17664327
|
Inhibition (ADMET)
|
= 50 %
|
Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake at 20 uM incubated for 5 mins by scintillation counting
|
ChEMBL.
|
22541068
|
Inhibition (ADMET)
|
= 59.3 %
|
Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake at 20 uM incubated for 5 mins by scintillation counting
|
ChEMBL.
|
22541068
|
Inhibition (ADMET)
|
= 71.3 %
|
Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake at 20 uM by scintillation counting
|
ChEMBL.
|
22541068
|
Kcat (binding)
|
= 30 /s
|
Activity of wild-type HIV1 BH10 protease expressed in Escherichia coli
|
ChEMBL.
|
18598016
|
Kd (binding)
|
= 1.64 nM
|
Equilibrium constant for the interaction between inhibitor and HIV-1 Protease
|
ChEMBL.
|
12459011
|
Kd (binding)
|
= 1.64 nM
|
Binding affinity for human immunodeficiency virus type 1 protease
|
ChEMBL.
|
15537350
|
Kd (binding)
|
= 2.99 nM
|
Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 5.1
|
ChEMBL.
|
22743085
|
Kd (binding)
|
= 3.4 nM
|
Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 7.4
|
ChEMBL.
|
22743085
|
Kd (binding)
|
= 37.6 nM
|
Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 4.1
|
ChEMBL.
|
22743085
|
KD1 (ADMET)
|
= 230 uM
|
Equilibrium dissociation constant for the interaction between the compound and serum albumin
|
ChEMBL.
|
15887962
|
KD1 (ADMET)
|
= 230 uM
|
Equilibrium dissociation constant for the interaction between the compound and serum albumin
|
ChEMBL.
|
15887962
|
KD2 (ADMET)
|
= 6 uM
|
Equilibrium dissociation constant for the interaction between the compound and serum albumin
|
ChEMBL.
|
15887962
|
KD2 (ADMET)
|
= 6 uM
|
Equilibrium dissociation constant for the interaction between the compound and serum albumin
|
ChEMBL.
|
15887962
|
Ki (binding)
|
|
DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: CYP450, 2A6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Bradykinin B2 radioligand binding (ligand: [3H] Bradykinin)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Calcitonin radioligand binding (ligand: [125I] Calcitonin (salmon))
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA))
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Neuropeptide Y Y1 radioligand binding (ligand: [125I] Peptide YY)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Leukotriene LTC4 Synthase enzyme inhibition (substrate: LTA4)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Vascular Endothelial Growth Factor (VEGF) radioligand binding (ligand: [125I] VEGF)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Angiotensin AT2 radioligand binding (ligand: [125I] CGP-42112A)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Glycine, Strychnine-Sensitive radioligand binding (ligand: [3H] Strychnine)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Peptidase, Angiotensin Converting Enzyme enzyme inhibition (substrate: FAPGG)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Nitric Oxide Synthase, Inducible (iNOS) enzyme inhibition (substrate: L-Arginine)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: CYP450, 2E1 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Chemokine CXCR1 (IL-8A)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Protease, Cathepsin G enzyme inhibition (substrate: Suc-Ala-Ala-Pro-Phe-AMC)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Protein Serine/Threonine Phosphatase, PPP3CA (Calcineurin, PP2B) enzyme inhibition (substrate: DiFMUP)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Vasoactive Intestinal Peptide VIP1 radioligand binding (ligand: [125I] VIP)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Neuropeptide Y Y2 radioligand binding (ligand: [125I] Peptide YY)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase PKCalpha enzyme inhibition (substrate: Histone)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Cholecystokinin CCKA radioligand binding (ligand: [3H] L-364,718)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Platelet Activating Factor (PAF) radioligand binding (ligand: [3H] PAF)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Peptidase, Matrix Metalloprotease-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Insulin radioligand binding (ligand: [125I] Insulin)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Phosphodiesterase PDE5 enzyme inhibition (substrate: [3H]cGMP + cGMP)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Nitric Oxide Synthase, Neuronal (nNOS) radioligand binding (ligand: [3H]L-Arginine)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Peptidase, ELA2 (Neutrophil Elastase 2) enzyme inhibition (substrate: N-MeOSuc-Ala-Ala-Pro-Val-pNA)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
|
DRUGMATRIX: Estrogen ERbeta radioligand binding (ligand: [3H] Estradiol)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
= 0.01 nM
|
Inhibition of HIV protease
|
ChEMBL.
|
10866371
|
Ki (binding)
|
= 0.01 nM
|
Inhibition of HIV protease
|
ChEMBL.
|
10866371
|
Ki (binding)
|
= 0.07 nM
|
Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assay
|
ChEMBL.
|
18598016
|
Ki (binding)
|
= 0.14 nM
|
Dissociation constant obtained by inhibition of Wild-type protease
|
ChEMBL.
|
10978186
|
Ki (binding)
|
= 0.23 nM
|
Inhibitory concentration against HIV-1 protease
|
ChEMBL.
|
11543677
|
Ki (binding)
|
= 0.23 nM
|
Inhibitory concentration against HIV-1 protease
|
ChEMBL.
|
11543677
|
Ki (binding)
|
= 0.28 nM
|
Inhibition of HIV1 protease
|
ChEMBL.
|
15615516
|
Ki (binding)
|
= 0.306 nM
|
Inhibition of HIV1 protease
|
ChEMBL.
|
17638694
|
Ki (binding)
|
= 0.54 nM
|
Inhibition constant against HIV-1 Protease
|
ChEMBL.
|
12459011
|
Ki (binding)
|
= 0.54 nM
|
Inhibition constant for human immunodeficiency virus type 1 protease
|
ChEMBL.
|
15537350
|
Ki (binding)
|
= 2 nM
|
Binding affinity against HIV-protease inhibitor.
|
ChEMBL.
|
10669559
|
Ki (binding)
|
= 16 nM
|
Dissociation constant obtained by inhibition of mutant HIV-protease (A-44)
|
ChEMBL.
|
10978186
|
Ki (binding)
|
= 27 nM
|
Dissociation constant obtained by inhibition of mutant HIV-protease (V-18)
|
ChEMBL.
|
10978186
|
Ki (binding)
|
= 33 nM
|
Dissociation constant obtained by inhibition of mutant HIV-protease (K-60)
|
ChEMBL.
|
10978186
|
Ki (binding)
|
= 170 pM
|
Inhibition of HIV-1 Protease activity
|
ChEMBL.
|
15013001
|
Ki (binding)
|
= 170 pM
|
Inhibition of HIV-1 Protease activity
|
ChEMBL.
|
15013001
|
Ki (binding)
|
= 732 pM
|
Inhibition of HIV1 protease using fluorogenic hexapeptide substrate (2-aminobenzoyl)Thr-Ile-Nle-(p-nitro)Phe-Gln-Arg by fluorimeter
|
ChEMBL.
|
No reference
|
Ki (binding)
|
= 931 pM
|
Inhibition of HIV1 protease
|
ChEMBL.
|
17981045
|
Ki (binding)
|
= 931 pM
|
Inhibition of HIV1 protease
|
ChEMBL.
|
17981045
|
Ki (ADMET)
|
= 0.48 uM
|
Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylation
|
ChEMBL.
|
16248836
|
Ki (ADMET)
|
= 0.57 uM
|
Mechanism based inhibition of human cytochrome P450 3A5 measured by testosterone hydroxylation
|
ChEMBL.
|
16248836
|
Ki (ADMET)
|
= 1 uM
|
Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsome
|
ChEMBL.
|
22409598
|
Ki (binding)
|
= 5.804 uM
|
DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
= 5.859 uM
|
DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
= 6.467 uM
|
DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
= 8.363 uM
|
DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
= 8.779 uM
|
DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
= 9.793 uM
|
DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
= 12.335 uM
|
DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
= 14.398 uM
|
DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
= 23.319 uM
|
DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
= 24.259 uM
|
DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
= 25.566 uM
|
DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)
|
ChEMBL.
|
No reference
|
Ki (binding)
|
= 61.84 uM
|
DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)
|
ChEMBL.
|
No reference
|
Kinact (ADMET)
|
= 0.22 /min
|
Inhibition of CYP3A4-mediated testosterone 6 beta hydroxylation in human liver microsome by Dixon plot analysis
|
ChEMBL.
|
22409598
|
Kinact (ADMET)
|
= 0.22 min-1
|
Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylation
|
ChEMBL.
|
16248836
|
Kinact (ADMET)
|
= 0.47 min-1
|
Mechanism based inhibition of human cytochrome P450 3A5 measured by testosterone hydroxylation
|
ChEMBL.
|
16248836
|
Km (binding)
|
= 15 uM
|
Activity of wild-type HIV1 BH10 protease expressed in Escherichia coli
|
ChEMBL.
|
18598016
|
Koff1 (ADMET)
|
= 0.413 s-1
|
Dissociation rate constant for the interaction between the compound and serum albumin
|
ChEMBL.
|
15887962
|
Koff2 (ADMET)
|
= 0 s-1
|
Dissociation rate constant for the interaction between the compound and serum albumin
|
ChEMBL.
|
15887962
|
Kon1 (ADMET)
|
= 1.8 1/mM.s
|
Association rate constant for the interaction between the compound and serum albumin
|
ChEMBL.
|
15887962
|
Kon2 (ADMET)
|
= 12.6 1/Ms
|
Association rate constant for the interaction between the compound and serum albumin
|
ChEMBL.
|
15887962
|
k_off (ADMET)
|
= 0 s-1
|
Dissociation rate constant for the interaction between the compound and serum albumin
|
ChEMBL.
|
15887962
|
k_off (binding)
|
= 0.000668 s-1
|
Dissociation rate constant for the interaction between inhibitor and HIV-1 protease
|
ChEMBL.
|
12459011
|
k_off (binding)
|
= 0.000668 s-1
|
Dissociation rate constant for human immunodeficiency virus type 1 protease
|
ChEMBL.
|
15537350
|
k_off (ADMET)
|
= 0.413 s-1
|
Dissociation rate constant for the interaction between the compound and serum albumin
|
ChEMBL.
|
15887962
|
k_on (ADMET)
|
= 1.8 1/mM.s
|
Association rate constant for the interaction between the compound and serum albumin
|
ChEMBL.
|
15887962
|
k_on (ADMET)
|
= 12.6 1/Ms
|
Association rate constant for the interaction between the compound and serum albumin
|
ChEMBL.
|
15887962
|
k_on (binding)
|
= 663000 1/Ms
|
Association rate constant for human immunodeficiency virus type 1 protease
|
ChEMBL.
|
15537350
|
k_on (binding)
|
= 663000 M-1 s-1
|
Association rate constant for the interaction between inhibitor and HIV-1 protease
|
ChEMBL.
|
12459011
|
LC50 (ADMET)
|
= 11000 nM
|
Cytotoxicity against MT4 cells by MTT assay
|
ChEMBL.
|
17537628
|
logP (ADMET)
|
= 5.8
|
Partition coefficient (logP)
|
ChEMBL.
|
12699389
|
Papp (ADMET)
|
= 38.1 nm/s
|
Apparent permeability (Papp) from apical to basolateral side determined in MDR1-MDCKII cells
|
ChEMBL.
|
11602674
|
Papp (ADMET)
|
= 338 nm/s
|
Apparent permeability (Papp) from basolateral to apical side determined in MDR1-MDCKII cells
|
ChEMBL.
|
11602674
|
permeability (ADMET)
|
= 103 10'-8cm/s
|
Apparent permeability from apical to basolateral side of human Caco-2 cells at 80 uM in donor chamber after 3 hrs
|
ChEMBL.
|
17950955
|
permeability (ADMET)
|
= 251 10'-8cm/s
|
Apparent permeability from basolateral to apical side of human Caco-2 cells at 80 uM in donor chamber after 3 hrs
|
ChEMBL.
|
17950955
|
pIC50 (functional)
|
|
Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells transfected with KCNQ1 / Kv1
|
LITERATURE.
|
25087753
|
Ratio (binding)
|
= 1990 /mM/s
|
Ratio of Kcat to Km for wild-type HIV1 BH10 protease
|
ChEMBL.
|
18598016
|
Ratio CC50/EC50 (functional)
|
= 250
|
Selectivity index, ratio of CC50 for MT2 cells to EC50 for HIV1 LAI
|
ChEMBL.
|
17371811
|
Ratio EC50 (functional)
|
= 64
|
Ratio of EC50 for HIV1 mutant strain 2 to EC50 for wild type HIV1
|
ChEMBL.
|
17981045
|
Ratio EC50 (functional)
|
= 75
|
Ratio of EC50 for HIV1 mutant strain 3 to EC50 for wild type HIV1
|
ChEMBL.
|
17981045
|
Ratio EC50 (functional)
|
= 82
|
Ratio of EC50 for HIV1 mutant strain 1 to EC50 for wild type HIV1
|
ChEMBL.
|
17981045
|
Ratio EC50 (functional)
|
= 94
|
Ratio of EC50 for HIV1 mutant strain 7 to EC50 for wild type HIV1
|
ChEMBL.
|
17981045
|
Ratio EC50 (functional)
|
= 141
|
Ratio of EC50 for HIV1 mutant strain 5 to EC50 for wild type HIV1
|
ChEMBL.
|
17981045
|
Ratio EC50 (functional)
|
> 273
|
Ratio of EC50 for HIV1 mutant strain 4 to EC50 for wild type HIV1
|
ChEMBL.
|
17981045
|
Ratio EC50 (functional)
|
> 273
|
Ratio of EC50 for HIV1 mutant strain 6 to EC50 for wild type HIV1
|
ChEMBL.
|
17981045
|