AC50 (functional)
|
= 0.329 uM
|
PUBCHEM_BIOASSAY: Bacterial Growth Inhibition Counterscreen using BacTiter-Glo Measured in Microorganism System Using Plate Reader - 2093-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488938]
|
ChEMBL.
|
No reference
|
AC50 (functional)
|
= 1.06 uM
|
PUBCHEM_BIOASSAY: High Throughput Screen for Tat Transport Inhibitors Measured in Microorganism System Using Plate Reader - 2093-01_Inhibitor_Dose_CherryPick_Activity_Set2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488938]
|
ChEMBL.
|
No reference
|
AC50 (functional)
|
= 7.544 uM
|
PUBCHEM_BIOASSAY: Anti-Malarial Hsp90 Inhibitors Measured in Microorganism System Using Plate Reader - 2121-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504596]
|
ChEMBL.
|
No reference
|
AC50 (functional)
|
= 7.847 uM
|
PUBCHEM_BIOASSAY: HsHsp90 Counterscreen Measured in Microorganism System Using Plate Reader - 2121-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504596]
|
ChEMBL.
|
No reference
|
Activity (functional)
|
|
Antibacterial activity against Escherichia coli EB2120 conditional lolA strain with lolA deletion and complementing copy placed at araBAD locus at 1 to 256 ug/mL after 18 hrs in presence of 0.00002 to 0.2% of arabinose
|
ChEMBL.
|
23473681
|
Activity (functional)
|
|
Antiplasmodial activity against blood stage of drug-sensitive Plasmodium falciparum D6
|
ChEMBL.
|
23664871
|
Activity (binding)
|
|
Inhibition of Plasmodium falciparum FabI assessed as saturated acyl-acyl carrier protein level at 5 uM by MALDI-TOF mass spectrometry
|
ChEMBL.
|
17485508
|
Activity (functional)
|
|
Inhibition of fatty acid synthesis in Plasmodium falciparum FCK2 trophozoites at 10 uM
|
ChEMBL.
|
17194705
|
Activity (functional)
|
|
Antiplasmodial activity against blood stage of drug-resistant Plasmodium falciparum TM91C235
|
ChEMBL.
|
23664871
|
Activity (functional)
|
|
Antiparasitic activity against Toxoplasma gondii infected in BALB/c mouse assessed as reduction of parasite burden at 25 mg/kg, ip qd for 5 days
|
ChEMBL.
|
23453069
|
Activity (functional)
|
0
|
Reduction in apicoplast genome copy number in Plasmodium falciparum FCK2 after 96 hrs
|
ChEMBL.
|
17060533
|
Activity (functional)
|
0
|
Reduction in apicoplast genome copy number in Plasmodium falciparum FCK2 after 48 hrs
|
ChEMBL.
|
17060533
|
Activity (functional)
|
0
|
Reduction of apicoplast DNA/nuclear DNA ratio in Plasmodium falciparum FCK2 at 10 uM after 72 hrs by competitive PCR relative to control
|
ChEMBL.
|
17060533
|
Activity (functional)
|
0
|
Inhibition of fatty acid biosynthesis in Plasmodium falciparum FCK2 assessed as decrease in incorporation of [1,2-14C]acetate at 10 uM after 2 hrs
|
ChEMBL.
|
17060533
|
Activity (ADMET)
|
= 4.9 %
|
Excretion in in percutaneously dosed healthy human urine at 1166 mg up to 48 hrs
|
ChEMBL.
|
19822703
|
Activity (ADMET)
|
= 5.9 %
|
Absorption in in percutaneously dosed healthy human at 1166 mg
|
ChEMBL.
|
19822703
|
Activity (functional)
|
= 41 %
|
Inhibition of transthyretin fibril formation at pH 4.4 at 50 uM
|
ChEMBL.
|
17948976
|
Activity (functional)
|
= 41 %
|
Inhibition of transthyretin fibril formation at pH 4.4 at 50 uM
|
ChEMBL.
|
17948976
|
Activity (functional)
|
= 47 %
|
Stabilization of urea-induced transthyretin dissociation at 21.6 uM at pH 7.2 after 1 hr relative to control
|
ChEMBL.
|
17948976
|
Activity (functional)
|
= 47 %
|
Stabilization of urea-induced transthyretin dissociation at 21.6 uM at pH 7.2 after 1 hr relative to control
|
ChEMBL.
|
17948976
|
Activity (functional)
|
= 66 %
|
Inhibition of transthyretin amyloidosis assessed as fibril formation at 21.6 uM at pH 4.4 relative to control
|
ChEMBL.
|
17948976
|
Activity (functional)
|
= 66 %
|
Inhibition of transthyretin amyloidosis assessed as fibril formation at 21.6 uM at pH 4.4 relative to control
|
ChEMBL.
|
17948976
|
Activity (functional)
|
= 75 %
|
Inhibition of transthyretin amyloidosis assessed as fibril formation at 7.2 uM at pH 4.4 relative to control
|
ChEMBL.
|
17948976
|
Activity (functional)
|
= 75 %
|
Inhibition of transthyretin amyloidosis assessed as fibril formation at 7.2 uM at pH 4.4 relative to control
|
ChEMBL.
|
17948976
|
Activity (functional)
|
= 100 %
|
Antimycobacterial activity against Mycobacterium tuberculosis H37Rv at 1 ug/ml after 6 weeks
|
ChEMBL.
|
18538450
|
Activity (ADMET)
|
> 6 uM
|
Toxicity to HFF
|
ChEMBL.
|
20698542
|
Activity (ADMET)
|
> 10 uM
|
Cytotoxicity against HFF after 72 hrs by WST-1 assay
|
ChEMBL.
|
23664871
|
EC50 (functional)
|
= 2.8 uM
|
Antimalarial activity against Plasmodium falciparum 3D7 [3H]hypoxanthine uptake method
|
ChEMBL.
|
17567585
|
EC50 (functional)
|
= 2.8 uM
|
Antimalarial activity against Plasmodium falciparum 3D7 [3H]hypoxanthine uptake method
|
ChEMBL.
|
17567585
|
EC50 (functional)
|
= 2.9 uM
|
Inhibition of drug sensitive Plasmodium falciparum 3D7 whole cell growth after 72 hrs exposure
|
ChEMBL.
|
16198563
|
EC50 (functional)
|
= 2.9 uM
|
Antimalarial activity against Plasmodium falciparum 3D7
|
ChEMBL.
|
16466916
|
EC50 (functional)
|
= 2.9 uM
|
Inhibition of drug sensitive Plasmodium falciparum 3D7 whole cell growth after 72 hrs exposure
|
ChEMBL.
|
16198563
|
EC50 (functional)
|
= 2.9 uM
|
Antimalarial activity against Plasmodium falciparum 3D7
|
ChEMBL.
|
16466916
|
EC50 (functional)
|
= 3.8 uM
|
Antimalarial activity against Plasmodium falciparum Dd2
|
ChEMBL.
|
16466916
|
EC50 (functional)
|
= 3.8 uM
|
Antimalarial activity against Plasmodium falciparum Dd2 by [3H]hypoxanthine uptake method
|
ChEMBL.
|
17567585
|
EC50 (functional)
|
= 3.8 uM
|
Antimalarial activity against Plasmodium falciparum Dd2
|
ChEMBL.
|
16466916
|
EC50 (functional)
|
= 3.8 uM
|
Antimalarial activity against Plasmodium falciparum Dd2 by [3H]hypoxanthine uptake method
|
ChEMBL.
|
17567585
|
EC50 (functional)
|
= 3.8 uM
|
Antimalarial activity against Plasmodium falciparum Dd2 assessed as inhibition of parasite growth
|
ChEMBL.
|
23313245
|
EC50 (functional)
|
= 3.9 uM
|
Inhibition of drug resistant Plasmodium falciparum Dd2 whole cell growth after 72 hrs exposure
|
ChEMBL.
|
16198563
|
EC50 (functional)
|
= 3.9 uM
|
Inhibition of drug resistant Plasmodium falciparum Dd2 whole cell growth after 72 hrs exposure
|
ChEMBL.
|
16198563
|
ED50 (ADMET)
|
= 2 ug ml-1
|
Cytotoxicity against human HepG2 cells
|
ChEMBL.
|
23092194
|
FC (functional)
|
>= 2
|
Upregulation of p55 gene expression Mycobacterium tuberculosis by microarray
|
ChEMBL.
|
19564371
|
FC (functional)
|
>= 2
|
Upregulation of p27 gene expression in Mycobacterium tuberculosis by microarray
|
ChEMBL.
|
19564371
|
FC (functional)
|
>= 2
|
Downregulation of p55 gene expression Mycobacterium tuberculosis by microarray
|
ChEMBL.
|
19564371
|
FC (functional)
|
>= 2
|
Downregulation of p27 gene expression Mycobacterium tuberculosis by microarray
|
ChEMBL.
|
19564371
|
FC (functional)
|
= 8
|
Antimicrobial activity against Mycobacterium tuberculosis H37Rv over-expressing InhA cells assessed as upshift of MIC relative to wild type
|
ChEMBL.
|
24967731
|
IC50 (binding)
|
= 15 nM
|
Inhibition of Toxoplasma gondii enoyl reductase assessed as conversion of trans-2-acyl-ACP to acyl-ACP
|
ChEMBL.
|
23453069
|
IC50 (binding)
|
= 15 nM
|
Inhibition of Toxoplasma gondii enoyl acyl-carrier protein reductase
|
ChEMBL.
|
23664871
|
IC50 (binding)
|
< 20 nM
|
Inhibition of Toxoplasma gondii enoyl reductase
|
ChEMBL.
|
20698542
|
IC50 (binding)
|
= 66 nM
|
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells
|
ChEMBL.
|
17477517
|
IC50 (binding)
|
= 66 nM
|
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells
|
ChEMBL.
|
17477517
|
IC50 (binding)
|
= 70 nM
|
Inhibition of Plasmodium falciparum recombinant FabI
|
ChEMBL.
|
17485508
|
IC50 (binding)
|
= 73 nM
|
Inhibition of PfENR enzymatic activity
|
ChEMBL.
|
16198563
|
IC50 (binding)
|
= 73 nM
|
Inhibition of Plasmodium falciparum ENR
|
ChEMBL.
|
17567585
|
IC50 (binding)
|
= 73 nM
|
Inhibition of PfENR enzymatic activity
|
ChEMBL.
|
16198563
|
IC50 (binding)
|
= 73 nM
|
Inhibition of Plasmodium falciparum ENR
|
ChEMBL.
|
17567585
|
IC50 (binding)
|
= 73 nM
|
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase
|
ChEMBL.
|
19217192
|
IC50 (functional)
|
= 424.4 nM
|
Antimalarial activity after 96hrs against Plasmodium falciparum 7G8 by [3H]hypoxanthine uptake
|
ChEMBL.
|
17110371
|
IC50 (functional)
|
= 773.9 nM
|
Antimalarial activity after 48 hrs against Plasmodium falciparum 7G8 by [3H]hypoxanthine uptake
|
ChEMBL.
|
17110371
|
IC50 (functional)
|
= 1526 nM
|
Antimalarial activity after 96 hrs against Plasmodium falciparum GCO3 by [3H]hypoxanthine uptake
|
ChEMBL.
|
17110371
|
IC50 (functional)
|
= 2708 nM
|
Antimalarial activity after 48 hrs against Plasmodium falciparum GCO3 by [3H]hypoxanthine uptake
|
ChEMBL.
|
17110371
|
IC50 (functional)
|
= 4186 nM
|
Antimalarial activity after 96 hrs against Plasmodium falciparum Dd2 by [3H]hypoxanthine uptake
|
ChEMBL.
|
17110371
|
IC50 (functional)
|
= 6258 nM
|
Antimalarial activity after 48 hrs against Plasmodium falciparum Dd2 by [3H]hypoxanthine uptake
|
ChEMBL.
|
17110371
|
IC50 (binding)
|
= 0.014 ug ml-1
|
Inhibition of Plasmodium falciparum FabI
|
ChEMBL.
|
17765547
|
IC50 (binding)
|
= 0.014 ug ml-1
|
Inhibition of Plasmodium falciparum FabI
|
ChEMBL.
|
17765547
|
IC50 (binding)
|
= 0.014 ug ml-1
|
Inhibition of Plasmodium falciparum FabI by spectrophotometric analysis
|
ChEMBL.
|
20855214
|
IC50 (binding)
|
= 0 uM
|
Inhibitory activity against Enoyl-ACP reductase FabI in Haemophilus influenzae
|
ChEMBL.
|
12699381
|
IC50 (binding)
|
= 0.059 uM
|
Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins
|
ChEMBL.
|
23092194
|
IC50 (binding)
|
= 0.07 uM
|
Inhibitory activity against Enoyl-ACP reductase FabI in Staphylococcus aureus
|
ChEMBL.
|
12699381
|
IC50 (binding)
|
= 0.07 uM
|
Concentration of the compound required for the 50% inhibition of enoyl-ACP reductase from S. aureus was determined.
|
ChEMBL.
|
12109908
|
IC50 (binding)
|
= 0.07 uM
|
Inhibitory activity against Enoyl-ACP reductase FabI in Staphylococcus aureus
|
ChEMBL.
|
12699381
|
IC50 (binding)
|
= 0.07 uM
|
Concentration of the compound required for the 50% inhibition of enoyl-ACP reductase from S. aureus was determined.
|
ChEMBL.
|
12109908
|
IC50 (binding)
|
= 0.07 uM
|
Inhibition of Plasmodium falciparum enoyl-ACP reductase assessed as oxidation of NADH to NAD+ after 10 mins by spectrophotometric analysis
|
ChEMBL.
|
22082562
|
IC50 (binding)
|
= 0.073 uM
|
Inhibition of Plasmodium falciparum ENR enzymatic activity
|
ChEMBL.
|
16466916
|
IC50 (binding)
|
= 0.073 uM
|
Inhibition of Plasmodium falciparum ENR enzymatic activity
|
ChEMBL.
|
16466916
|
IC50 (binding)
|
= 0.2 uM
|
Inhibition of Plasmodium falciparum Enoyl-ACP reductase using crotonyl-CoA as substrate peincubated for 5 mins measured after 10 mins of substrate addition by UV-vis spectrophotometry
|
ChEMBL.
|
21619045
|
IC50 (binding)
|
= 0.2 uM
|
Inhibition of wild type Mycobacterium tuberculosis inhA
|
ChEMBL.
|
24107081
|
IC50 (binding)
|
= 0.4 uM
|
Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate
|
ChEMBL.
|
19097799
|
IC50 (functional)
|
= 0.43 uM
|
Inhibitory activity against Enoyl-ACP reductase FabI in E. coli
|
ChEMBL.
|
12699381
|
IC50 (binding)
|
= 0.43 uM
|
Antibacterial activity against Escherichia coli FabI
|
ChEMBL.
|
11527706
|
IC50 (binding)
|
= 0.43 uM
|
Evaluated for inhibition of enoyl acyl carrier protein reductase (FabI) in Escherichia coli.
|
ChEMBL.
|
11514139
|
IC50 (binding)
|
= 0.43 uM
|
Antibacterial activity against Escherichia coli FabI
|
ChEMBL.
|
11527706
|
IC50 (binding)
|
= 0.43 uM
|
Evaluated for inhibition of enoyl acyl carrier protein reductase (FabI) in Escherichia coli.
|
ChEMBL.
|
11514139
|
IC50 (binding)
|
= 0.44 uM
|
Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectrophotometry
|
ChEMBL.
|
26343826
|
IC50 (binding)
|
= 0.5 uM
|
Inhibition of Bacillus anthracis Enoyl ACP reductase
|
ChEMBL.
|
18499454
|
IC50 (binding)
|
= 0.5 uM
|
Inhibition of Bacillus anthracis Enoyl ACP reductase
|
ChEMBL.
|
18499454
|
IC50 (binding)
|
= 0.51 uM
|
Inhibition of Escherichia coli DH5alpha His tagged Fab1
|
ChEMBL.
|
17095231
|
IC50 (binding)
|
= 0.63 uM
|
Inhibition of Mycobacterium tuberculosis InhA using dodecyl coA as substrate by LC-MS/MS analysis
|
ChEMBL.
|
25221657
|
IC50 (functional)
|
= 0.7 uM
|
Antiparasitic activity against Plasmodium falciparum in RBCs
|
ChEMBL.
|
17485508
|
IC50 (functional)
|
= 0.75 uM
|
Antibacterial activity against wild type Escherichia coli K12 after 12 hrs by microdilution method
|
ChEMBL.
|
18434169
|
IC50 (binding)
|
= 0.9 uM
|
Inhibition of Escherichia coli FabI
|
ChEMBL.
|
17713898
|
IC50 (binding)
|
= 0.9 uM
|
Inhibition of Escherichia coli enoyl-ACP reductase FabI
|
ChEMBL.
|
17892940
|
IC50 (binding)
|
= 0.9 uM
|
Inhibition of Escherichia coli enoyl-ACP reductase FabI
|
ChEMBL.
|
17892940
|
IC50 (functional)
|
= 1 uM
|
Antiplasmodial activity against asexual blood stage form of Plasmodium falciparum assessed as growth inhibition after 72 hrs by [3H]-hypoxanthine incorporation assay
|
ChEMBL.
|
24063369
|
IC50 (binding)
|
= 1.1 uM
|
Antibacterial activity against Staphylococcus aureus FabI
|
ChEMBL.
|
11527706
|
IC50 (binding)
|
= 1.1 uM
|
Evaluated for inhibition of enoyl acyl carrier protein reductase (FabI) in Staphylococcus aureus.
|
ChEMBL.
|
11514139
|
IC50 (functional)
|
= 1.1 uM
|
Inhibition of Plasmodium falciparum FCK2 growth assessed as [3H]hypoxanthine uptake after 48 hrs
|
ChEMBL.
|
17060533
|
IC50 (binding)
|
= 1.1 uM
|
Antibacterial activity against Staphylococcus aureus FabI
|
ChEMBL.
|
11527706
|
IC50 (binding)
|
= 1.1 uM
|
Evaluated for inhibition of enoyl acyl carrier protein reductase (FabI) in Staphylococcus aureus.
|
ChEMBL.
|
11514139
|
IC50 (functional)
|
= 1.1 uM
|
Inhibition of Plasmodium falciparum FCK2 growth assessed as [3H]hypoxanthine uptake after 48 hrs
|
ChEMBL.
|
17060533
|
IC50 (functional)
|
= 1.2 uM
|
Inhibition of Plasmodium falciparum FCK2 growth assessed as [3H]hypoxanthine uptake after 96 hrs
|
ChEMBL.
|
17060533
|
IC50 (functional)
|
= 1.2 uM
|
Inhibition of Plasmodium falciparum FCK2 growth assessed as [3H]hypoxanthine uptake after 96 hrs
|
ChEMBL.
|
17060533
|
IC50 (binding)
|
= 1.3 uM
|
Inhibition of C-terminal His6-tagged wild type Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate by UV-vis spectrophotometric analysis in presence of non pre-equilibrated NAD+
|
ChEMBL.
|
23815100
|
IC50 (functional)
|
= 2.29 uM
|
Antimalarial activity against chloroquine-sensitive Plasmodium falciparum FCK2
|
ChEMBL.
|
18434169
|
IC50 (binding)
|
= 3 uM
|
inhibition of Mycobacterium tuberculosis InhA after 20 mins by fluorometric assay
|
ChEMBL.
|
12141869
|
IC50 (functional)
|
> 30 uM
|
Inhibitory activity against Enoyl-ACP reductase FabK in Streptococcus pneumoniae
|
ChEMBL.
|
12699381
|
IC50 (binding)
|
> 30 uM
|
Concentration of the compound required for the 50% inhibition of Enoyl-ACP reductase from S. pneumoniae was determined.
|
ChEMBL.
|
12109908
|
IC50 (binding)
|
> 32 uM
|
Inhibition of Streptococcus pneumoniae FabK
|
ChEMBL.
|
17713898
|
IC50 (binding)
|
> 32 uM
|
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK
|
ChEMBL.
|
17892940
|
IC50 (binding)
|
> 32 uM
|
Inhibition of Streptococcus pneumoniae FabK
|
ChEMBL.
|
17713898
|
IC50 (binding)
|
> 32 uM
|
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK
|
ChEMBL.
|
17892940
|
IC50 (functional)
|
= 52.96 uM
|
DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Clone C4), in vitro.
|
ChEMBL.
|
No reference
|
IC50 (functional)
|
= 53.5 uM
|
Inhibition of transthyretin fibril formation at pH 4.4
|
ChEMBL.
|
17948976
|
IC50 (functional)
|
= 53.5 uM
|
Inhibition of transthyretin fibril formation at pH 4.4
|
ChEMBL.
|
17948976
|
IC90 (functional)
|
=
|
DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Clone C4), in vitro.
|
ChEMBL.
|
No reference
|
INH (ADMET)
|
> 10 uM
|
Cytotoxicity against HFF assessed as inhibition of [3H]-thymidine incorporation after 24 hrs by WST-1 assay
|
ChEMBL.
|
23453069
|
Inhibition (binding)
|
|
Inhibition of Pseudomonas aeruginosa PAO272 fabI assessed as reduction of Enoyl-[acyl-carrier-protein] reductase activity at 15 ug/ml
|
ChEMBL.
|
19933806
|
Inhibition (binding)
|
|
Inhibition of Pseudomonas aeruginosa PAO272 fabI assessed as reduction of [1-14C]acetate incorporation into phospholipids
|
ChEMBL.
|
19933806
|
Inhibition (binding)
|
|
Inhibition of Pseudomonas aeruginosa fabI activity assessed as conversion of 3-hydroxydecanoyl-ACP to trans-2-decenoyl-ACP at 10 ug/ml in presence of 2.5 M urea
|
ChEMBL.
|
19933806
|
Inhibition (functional)
|
= 10.9 %
|
Effect on Streptococcus mutans LMG 14558 assessed as inhibition of biofilm formation in modified Robbin's device at 1333 ug/ml relative to BHIS control
|
ChEMBL.
|
17220400
|
Inhibition (binding)
|
= 37 %
|
Inhibition of Mycobacterium tuberculosis InhA using 2-trans-decenoyl-CoA as substrate at 10 uM after 5 mins using by spectrophotometry
|
ChEMBL.
|
21975068
|
Inhibition (functional)
|
= 62 %
|
Inhibition of transthyretin fibril formation assessed as turbidity at 21.6 uM at pH 4.4 after 3 hrs
|
ChEMBL.
|
17948976
|
Inhibition (functional)
|
= 62 %
|
Inhibition of transthyretin fibril formation assessed as turbidity at 21.6 uM at pH 4.4 after 3 hrs
|
ChEMBL.
|
17948976
|
Inhibition (functional)
|
= 78.13 %
|
Effect on Streptococcus mutans LMG 14558 assessed as inhibition of biofilm formation in modified Robbin's device at 5 ug/ml relative to BHIS control
|
ChEMBL.
|
17220400
|
Inhibition (binding)
|
= 98 %
|
Inhibition of Toxoplasma gondii enoyl reductase assessed as conversion of trans-2-acyl-ACP to acyl-ACP at 1 uM
|
ChEMBL.
|
23453069
|
Inhibition (binding)
|
= 98 %
|
Inhibition of Toxoplasma gondii enoyl acyl-carrier protein reductase at 1 uM
|
ChEMBL.
|
23664871
|
Inhibition (binding)
|
> 99 %
|
Inhibition of Mycobacterium tuberculosis InhA expressed in Escherichia coli BL21 using trans-2-dodecenoyl-Coenzyme A as substrate at 10 uM by spectrophotometry
|
ChEMBL.
|
21944473
|
Inhibition (binding)
|
> 99 %
|
Inhibition of Mycobacterium tuberculosis recombinant His6x-tagged InhA expressed in Escherichia coli BL21 at 50 uM
|
ChEMBL.
|
24269516
|
Inhibition (binding)
|
> 99 %
|
Inhibition of His6-tagged recombinant Mycobacterium tuberculosis InhA expressed in protease-deficient Escherichia coli (BL21) using trans-2-dodecenoyl-coenzyme A as substrate assessed as NADH oxidation at 50 uM relative to control
|
LITERATURE.
|
27214509
|
Inhibition (binding)
|
= 99.5 %
|
Inhibition of Plasmodium falciparum Enoyl-ACP reductase using crotonyl-CoA as substrate at 0.05 mM peincubated for 5 mins measured after 10 mins of substrate addition by UV-vis spectrophotometry
|
ChEMBL.
|
21619045
|
K1 (binding)
|
= 7 pM
|
In vitro inhibitory activity of the compound against wild-type intestinal Fatty acid-binding protein (FabI) of Escherichia coli expressed as K1
|
ChEMBL.
|
14736233
|
K1 (binding)
|
= 7 pM
|
In vitro inhibitory activity of the compound against wild-type intestinal Fatty acid-binding protein (FabI) of Escherichia coli expressed as K1
|
ChEMBL.
|
14736233
|
Kd (binding)
|
= 144000 nM
|
Binding affinity to transthyretin at pH 4.4
|
ChEMBL.
|
17948976
|
Kd (binding)
|
= 144000 nM
|
Binding affinity to transthyretin at pH 4.4
|
ChEMBL.
|
17948976
|
Ki (binding)
|
= 1 nM
|
Inhibition of Plasmodium falciparum ENR in presence of EGCG
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 1 nM
|
Inhibition of Plasmodium falciparum ENR in presence of EGCG
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 7.29 nM
|
Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of EGCG
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 7.29 nM
|
Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of EGCG
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 8 nM
|
Inhibition of Plasmodium falciparum ENR in presence of ECG
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 8 nM
|
Inhibition of Plasmodium falciparum ENR in presence of ECG
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 8.25 nM
|
Inhibition of Plasmodium falciparum ENR in presence of EGC
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 8.25 nM
|
Inhibition of Plasmodium falciparum ENR in presence of EGC
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 10 nM
|
Inhibition of Plasmodium falciparum ENR in presence of quercetin
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 10 nM
|
Inhibition of Plasmodium falciparum ENR in presence of quercetin
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 13.72 nM
|
Inhibition of Plasmodium falciparum ENR in presence of butein
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 13.72 nM
|
Inhibition of Plasmodium falciparum ENR in presence of butein
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 28.31 nM
|
Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of ECG
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 28.31 nM
|
Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of ECG
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 30.54 nM
|
Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of quercetin
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 30.54 nM
|
Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of quercetin
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 50 nM
|
Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase expressed in Escherichia coli BL21(DE3) by spectrophotometry
|
ChEMBL.
|
19217192
|
Ki (binding)
|
= 52.71 nM
|
Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of EGC
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 52.71 nM
|
Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of EGC
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 71.02 nM
|
Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of butein
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 71.02 nM
|
Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of butein
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 660 nM
|
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA
|
ChEMBL.
|
17477517
|
Ki (binding)
|
= 660 nM
|
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA
|
ChEMBL.
|
17477517
|
Ki (binding)
|
= 1.9 pM
|
Inhibition of Plasmodium falciparum ENR in presence of EGCG by dilution assay
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 1.9 pM
|
Inhibition of Plasmodium falciparum ENR in presence of EGCG by dilution assay
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 52.06 pM
|
Inhibition of Plasmodium falciparum ENR in presence of ECG by dilution assay
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 52.06 pM
|
Inhibition of Plasmodium falciparum ENR in presence of ECG by dilution assay
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 109 pM
|
Inhibition of Plasmodium falciparum ENR in presence of EGC by dilution assay
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 109 pM
|
Inhibition of Plasmodium falciparum ENR in presence of EGC by dilution assay
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 280.6 pM
|
Inhibition of Plasmodium falciparum ENR in presence of quercetin by dilution assay
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 280.6 pM
|
Inhibition of Plasmodium falciparum ENR in presence of quercetin by dilution assay
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 798.33 pM
|
Inhibition of Plasmodium falciparum ENR in presence of butein by dilution assay
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 798.33 pM
|
Inhibition of Plasmodium falciparum ENR in presence of butein by dilution assay
|
ChEMBL.
|
17263522
|
Ki (binding)
|
= 0.06 uM
|
Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate
|
ChEMBL.
|
19097799
|
Ki (binding)
|
= 0.2 uM
|
Inhibition of Mycobacterium tuberculosis H37RV InhA
|
ChEMBL.
|
18457948
|
Ki (binding)
|
= 0.2 uM
|
Inhibition of Mycobacterium tuberculosis H37RV InhA
|
ChEMBL.
|
18457948
|
LC50 (ADMET)
|
= 4.8 ug ml-1
|
Cytotoxicity against Homo sapiens (human) U937 cells assessed as cell viability after 72 hr by MTT assay
|
ChEMBL.
|
No reference
|
MIC (functional)
|
0
|
Antibacterial activity against Streptococcus pneumoniae KU197 mutant by broth microdilution method
|
ChEMBL.
|
17892940
|
MIC (functional)
|
= 0.2 mg/L
|
Antibacterial activity against Escherichia coli 10418 after 18 hrs by Etest method
|
ChEMBL.
|
18180352
|
MIC (binding)
|
= 0.03 ug ml-1
|
In vitro antibacterial activity of the compound against Staphylococcus aureus FabI
|
ChEMBL.
|
11527706
|
MIC (functional)
|
= 0.03 ug ml-1
|
Antibacterial activity against Staphylococcus aureus Oxford.
|
ChEMBL.
|
11514139
|
MIC (binding)
|
= 0.06 ug ml-1
|
In vitro antibacterial activity of the compound against Moraxella catarrhalis 1502 FabI
|
ChEMBL.
|
11527706
|
MIC (functional)
|
<= 0.06 ug ml-1
|
Minimum concentration of the compound required for the inhibition of S. aureus was determined.
|
ChEMBL.
|
12109908
|
MIC (functional)
|
<= 0.06 ug ml-1
|
Minimum concentration of the compound required for the inhibition of H. influenzae was determined.
|
ChEMBL.
|
12109908
|
MIC (functional)
|
= 0.06 ug ml-1
|
Antibacterial activity against Moraxella catarrhalis 1502
|
ChEMBL.
|
11514139
|
MIC (functional)
|
= 0.063 ug ml-1
|
Antibacterial activity against Staphylococcus aureus ATCC 29213
|
ChEMBL.
|
17713898
|
MIC (functional)
|
= 0.125 ug ml-1
|
Antimicrobial activity against Staphylococcus aureus ATCC 29213
|
ChEMBL.
|
17095231
|
MIC (functional)
|
= 0.125 ug ml-1
|
Antibacterial activity against Escherichia coli C7 after 18 hrs by broth microdilution method
|
ChEMBL.
|
23092194
|
MIC (functional)
|
= 0.2 ug ml-1
|
Antibacterial activity against Escherichia coli W3110 containing empty vector pBluescript at 37 deg C
|
ChEMBL.
|
19933806
|
MIC (functional)
|
= 0.2 ug ml-1
|
Antibacterial activity against Escherichia coli MG1655 containing empty vector pBluescript assessed as microbial growth inhibition
|
ChEMBL.
|
19933806
|
MIC (functional)
|
= 0.3 ug ml-1
|
Minimum inhibitory concentration of the compound against Escherichia coli was determined
|
ChEMBL.
|
14736233
|
MIC (functional)
|
= 0.3 ug ml-1
|
Minimum inhibitory concentration of the compound against Escherichia coli was determined
|
ChEMBL.
|
14736233
|
MIC (functional)
|
= 2 ug ml-1
|
Antibacterial activity against Escherichia coli ATCC 8099 after 24 hrs by NCCLS method
|
ChEMBL.
|
23466234
|
MIC (functional)
|
= 3 ug ml-1
|
Antibacterial activity against Escherichia coli W3110 containing pZL19 expressing sEscherichia coli fabI gene assessed as microbial growth inhibition
|
ChEMBL.
|
19933806
|
MIC (functional)
|
= 3 ug ml-1
|
Antibacterial activity against Escherichia coli MG1655 containing pZL19 expressing Escherichia coli fabI gene assessed as microbial growth inhibition
|
ChEMBL.
|
19933806
|
MIC (functional)
|
= 3.1 ug ml-1
|
Antibacterial activity against Bacillus anthracis dANR
|
ChEMBL.
|
18499454
|
MIC (binding)
|
= 4 ug ml-1
|
In vitro antibacterial activity of the compound against Escherichia coli FabI
|
ChEMBL.
|
11527706
|
MIC (functional)
|
= 4 ug ml-1
|
Antibacterial activity against Escherichia coli W3110 containing pZL17 expressing Pseudomonas aeruginosa fabI gene assessed as microbial growth inhibition
|
ChEMBL.
|
19933806
|
MIC (functional)
|
= 4 ug ml-1
|
Antibacterial activity against Escherichia coli MG1655 pZL17 expressing Pseudomonas aeruginosa fabI gene assessed as microbial growth inhibition
|
ChEMBL.
|
19933806
|
MIC (functional)
|
= 5 ug ml-1
|
Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 6 weeks
|
ChEMBL.
|
18538450
|
MIC (functional)
|
= 5 ug ml-1
|
Antitubercular activity against Mycobacterium tuberculosis
|
ChEMBL.
|
22079026
|
MIC (functional)
|
= 10 ug ml-1
|
Antimycobacterial activity against Mycobacterium tuberculosis H37Rv assessed as inhibition of bacterial growth after 5 days by Microplate Alamar Blue Assay
|
ChEMBL.
|
25771110
|
MIC (functional)
|
= 10 ug ml-1
|
Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 5 days by microplate alamar blue assay
|
ChEMBL.
|
24292339
|
MIC (functional)
|
= 16 ug ml-1
|
Activity against planktonic Streptococcus mutans LMG 14558
|
ChEMBL.
|
17220400
|
MIC (functional)
|
> 2000 ug ml-1
|
Antibacterial activity against Escherichia coli W3110 containing pZL16 expressing sPseudomonas aeruginosa fabV gene assessed as microbial growth inhibition
|
ChEMBL.
|
19933806
|
MIC (functional)
|
> 2000 ug ml-1
|
Antibacterial activity against Escherichia coli MG1655 pZL16 expressing Pseudomonas aeruginosa fabV gene assessed as microbial growth inhibition
|
ChEMBL.
|
19933806
|
MIC (functional)
|
= 1 uM
|
Antibacterial activity against wild type Escherichia coli K12 after 12 hrs by microdilution method
|
ChEMBL.
|
18434169
|
MIC (functional)
|
= 17.6 uM
|
Antimalarial activity against chloroquine-sensitive Plasmodium falciparum FCK2
|
ChEMBL.
|
18434169
|
MIC (functional)
|
= 34.5 uM
|
Antitubercular activity against Mycobacterium tuberculosis H37Rv assessed as growth inhibition after 21 days by micro-broth dilution method
|
ChEMBL.
|
24016834
|
MIC (functional)
|
= 34.5 uM
|
Antimycobacterial activity against Mycobacterium tuberculosis H37Rv by twofold dilution method
|
ChEMBL.
|
21944473
|
MIC (functional)
|
= 34.5 uM
|
Antimicrobial activity against Mycobacterium tuberculosis H37Rv after 21 days by micro-broth dilution method
|
ChEMBL.
|
24269516
|
MIC (functional)
|
= 64 uM
|
Antitubercular activity against Mycobacterium tuberculosis
|
ChEMBL.
|
24107081
|
MIC50 (functional)
|
= 0.03 ug ml-1
|
Antibacterial activity against Staphylococcus aureus WCUH29
|
ChEMBL.
|
12699381
|
MIC50 (functional)
|
< 0.06 ug ml-1
|
Antibacterial activity against M. catarrhalis
|
ChEMBL.
|
12699381
|
MIC50 (functional)
|
= 0.5 ug ml-1
|
Antibacterial activity against Haemophilus influenzae Q1
|
ChEMBL.
|
12699381
|
MIC50 (functional)
|
= 0.5 ug ml-1
|
Antibacterial activity against E. coli 120AcrAB-
|
ChEMBL.
|
12699381
|
MIC50 (functional)
|
= 0.5 ug ml-1
|
Antibacterial activity against E. coli 120AcrAB-
|
ChEMBL.
|
12699381
|
MIC50 (functional)
|
= 16 ug ml-1
|
Antibacterial activity against Streptococcus pneumoniae 1629
|
ChEMBL.
|
12699381
|
MIC50 (functional)
|
= 16 ug ml-1
|
Antibacterial activity against Enterococcus faecalis I
|
ChEMBL.
|
12699381
|
MIC50 (functional)
|
= 5 uM
|
Antiparasitic activity against Toxoplasma gondii infected in HFF after 24 hrs by [3H]uracil incorporation assay
|
ChEMBL.
|
20698542
|
MIC50 (functional)
|
= 5 uM
|
Antiparasitic activity against Toxoplasma gondii type 1 RH expressing YFP infected in HFF assessed as inhibition of [3H]-uracil incorporation after 72 hrs by liquid scintillation counting
|
ChEMBL.
|
23453069
|
MIC50 (functional)
|
= 5 uM
|
Antiparasitic activity against tachyzoite of Toxoplasma gondii RH expressing yellow fluorescent protein infected in human foreskin fibroblasts after 72 hrs by bacterial beta-galactosidase reporter gene assay
|
ChEMBL.
|
23664871
|
MIC90 (functional)
|
<= 0.25 ug ml-1
|
Antibacterial activity against Escherichia coli ATCC 25922 after 24 hrs by macrobroth dilution method
|
ChEMBL.
|
22285320
|
MIC90 (functional)
|
= 1 ug ml-1
|
Antibacterial activity against Escherichia coli isolate CAN-ICU 63074 after 24 hrs by macrobroth dilution method
|
ChEMBL.
|
22285320
|
MIC90 (functional)
|
= 1 ug ml-1
|
Antibacterial activity against Escherichia coli isolate CAN-ICU 61714 after 24 hrs by macrobroth dilution method
|
ChEMBL.
|
22285320
|
MIC90 (functional)
|
= 2.9 ug ml-1
|
Antibacterial activity against Escherichia coli MG1655
|
ChEMBL.
|
19959361
|
MIC90 (functional)
|
= 2.9 ug ml-1
|
Antibacterial activity against Escherichia coli M15
|
ChEMBL.
|
19959361
|
MIC90 (functional)
|
= 2.9 ug ml-1
|
Antibacterial activity against Escherichia coli M15 containing pQE30 expression vector
|
ChEMBL.
|
19959361
|
MIC90 (functional)
|
= 16 ug ml-1
|
Antibacterial activity against Escherichia coli isolate CAN-ICU 61714 after 24 hrs by macrobroth dilution method in the presence of bovine serum albumin
|
ChEMBL.
|
22285320
|
MIC90 (functional)
|
= 16 ug ml-1
|
Antibacterial activity against Escherichia coli ATCC 25922 after 24 hrs by macrobroth dilution method in the presence of bovine serum albumin
|
ChEMBL.
|
22285320
|
MIC90 (functional)
|
= 64 ug ml-1
|
Antibacterial activity against Escherichia coli isolate CAN-ICU 63074 after 24 hrs by macrobroth dilution method in the presence of bovine serum albumin
|
ChEMBL.
|
22285320
|
MIC90 (functional)
|
> 500 ug ml-1
|
Antibacterial activity against fabI-overexpressing Escherichia coli M15
|
ChEMBL.
|
19959361
|
MIC90 (functional)
|
> 6 uM
|
Antiparasitic activity against Toxoplasma gondii infected in HFF after 24 hrs by [3H]uracil incorporation assay
|
ChEMBL.
|
20698542
|
MIC90 (functional)
|
= 10.2 uM
|
Inhibition of Plasmodium falciparum FCK2 growth assessed as [3H]hypoxanthine uptake after 96 hrs
|
ChEMBL.
|
17060533
|
MIC90 (functional)
|
= 10.2 uM
|
Inhibition of Plasmodium falciparum FCK2 growth assessed as [3H]hypoxanthine uptake after 96 hrs
|
ChEMBL.
|
17060533
|
MIC90 (functional)
|
= 15.8 uM
|
Inhibition of Plasmodium falciparum FCK2 growth assessed as [3H]hypoxanthine uptake after 48 hrs
|
ChEMBL.
|
17060533
|
MIC90 (functional)
|
= 15.8 uM
|
Inhibition of Plasmodium falciparum FCK2 growth assessed as [3H]hypoxanthine uptake after 48 hrs
|
ChEMBL.
|
17060533
|
NT (binding)
|
0
|
Concentration of the compound required for the 50% inhibition of enoyl-ACP reductase from H. influenza was determined; NT means not tested
|
ChEMBL.
|
12109908
|
pKa (binding)
|
= 7.8
|
In vitro inhibitory activity of the compound against mutant intestinal Fatty acid-binding protein (FabI) of Escherichia coli
|
ChEMBL.
|
14736233
|
pKa (binding)
|
= 8.4
|
In vitro inhibitory activity of the compound against mutant intestinal Fatty acid-binding protein (FabI) of Escherichia coli
|
ChEMBL.
|
14736233
|
Potency (functional)
|
0.0103 uM
|
PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 0.0316 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
0.0631 uM
|
PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 0.1995 um
|
PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
6.012 uM
|
PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
6.3096 uM
|
PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 7.9433 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
9.5283 uM
|
PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
11.2202 uM
|
PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
11.8823 uM
|
PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
14.1254 uM
|
PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
17.6327 uM
|
PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
17.7828 uM
|
PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
17.7828 uM
|
PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
19.9526 uM
|
PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
22.3872 uM
|
PubChem BioAssay: Tox21. qHTS assay for small molecule activators of the heat shock response signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
23.1093 uM
|
PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
26.8325 uM
|
PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
28.1838 uM
|
PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
33.4889 uM
|
PubChem BioAssay: Tox21. qHTS assay for small molecule activators of the heat shock response signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
33.4983 uM
|
PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (binding)
|
= 35.4813 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
35.4813 uM
|
PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
35.4813 uM
|
PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
35.4813 uM
|
PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
39.8107 uM
|
PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
39.8107 uM
|
PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
44.6684 uM
|
PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of thyroid hormone receptor beta signaling. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
44.6684 uM
|
PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of farnesoid X receptor signaling. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
44.6684 uM
|
PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of retinoid X receptor alpha signaling. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
50.1187 uM
|
PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of estrogen receptor alpha signaling. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
50.1187 uM
|
PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
54.4827 uM
|
PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
55.7595 uM
|
PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
56.2341 uM
|
PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
63.0957 uM
|
PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
63.0957 uM
|
PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
70.7946 uM
|
PubChem BioAssay. qHTS assay for environmental chemicals that activate the Aryl hydrocarbon Receptor (AhR) signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
79.4328 uM
|
PubChem BioAssay. qHTS assay for small molecule activators of the p53 signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
T1/2 (ADMET)
|
= 10.8 hr
|
Apparent half-life of the terminal disposition phase half life in percutaneously dosed healthy human at 1166 mg
|
ChEMBL.
|
19822703
|
Time (ADMET)
|
= 11 hr
|
Time to reach maximum urine excretion rate in percutaneously dosed healthy human at 1166 mg
|
ChEMBL.
|
19822703
|
Tm (binding)
|
< 2 degrees C
|
Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as thermal shift by differential scanning fluorimetry in absence of cofactor
|
ChEMBL.
|
19097799
|
Tm (binding)
|
< 2 degrees C
|
Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as thermal shift by differential scanning fluorimetry in presence of NADPH
|
ChEMBL.
|
19097799
|
Tm (binding)
|
< 2 degrees C
|
Binding affinity to human recombinant carbonyl reductase 3 expressed in Escherichia coli assessed as thermal shift by differential scanning fluorimetry in absence of cofactor
|
ChEMBL.
|
19097799
|
Tm (binding)
|
< 2 degrees C
|
Binding affinity to human recombinant carbonyl reductase 3 expressed in Escherichia coli assessed as thermal shift by differential scanning fluorimetry in presence of NADP+
|
ChEMBL.
|
19097799
|
Tm (binding)
|
< 2 degrees C
|
Binding affinity to human recombinant carbonyl reductase 3 expressed in Escherichia coli assessed as thermal shift by differential scanning fluorimetry in presence of NADPH
|
ChEMBL.
|
19097799
|
Tm (binding)
|
= 3.4 degrees C
|
Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as thermal shift by differential scanning fluorimetry in presence of NADP+
|
ChEMBL.
|
19097799
|