(binding)
|
0
|
Activity of substrate for human Folyl-polyglutamate synthetase was evaluated and compared to that of aminopterin (AMT)
|
ChEMBL.
|
9554874
|
(binding)
|
0
|
Binding affinity of the compound was evaluated on CCRF-CEM human leukemia cell Folyl-polyglutamate synthetase
|
ChEMBL.
|
9554874
|
Activity (functional)
|
= 50 %
|
In vivo antitumor activity was evaluated against L1210 leukemia implanted mice by measuring percent increase in life span after intraperitoneal administration of compound at 0.06 mg/kg
|
ChEMBL.
|
6546949
|
Activity (functional)
|
= 75 %
|
In vivo antitumor activity was evaluated against L1210 leukemia implanted mice by measuring percent increase in life span after intraperitoneal administration of compound at 0.12 mg/kg
|
ChEMBL.
|
6546949
|
Activity (functional)
|
= 138 %
|
In vivo antitumor activity was evaluated against L1210 leukemia implanted mice by measuring percent increase in life span after intraperitoneal administration of compound at 0.24 mg/kg
|
ChEMBL.
|
6546949
|
EC50 (functional)
|
= 1.8 nM
|
Inhibition of growth (cytotoxicity) of L1210 cell line in vitro
|
ChEMBL.
|
6410066
|
EC50 (functional)
|
= 4.7 nM
|
Inhibition of growth (cytotoxicity) of HuTu 80 cell line in vitro
|
ChEMBL.
|
6410066
|
I50 (binding)
|
= 5 nM
|
Inhibition of dihydrofolate reductase in Lactobacillus casei
|
ChEMBL.
|
6410066
|
I50 (binding)
|
= 11 nM
|
Inhibition of dihydrofolate reductase in Escherichia coli
|
ChEMBL.
|
6410066
|
I50 (binding)
|
= 31 nM
|
Inhibition of dihydrofolate reductase in HeLa cells
|
ChEMBL.
|
6410066
|
IC50 (functional)
|
= 0.00000000061 M
|
Inhibitory concentration of compound in growth of L-1210 cells
|
ChEMBL.
|
6793726
|
IC50 (functional)
|
= 0.0000000021 M
|
Inhibitory concentration against the growth of L1210 murine leukemia cells in tissue culture.
|
ChEMBL.
|
4009615
|
IC50 (functional)
|
= 0.005 nM
|
Inhibition of L1210 cultured murine leukemia cell growth
|
ChEMBL.
|
3112397
|
IC50 (functional)
|
= 0.72 nM
|
Compound was evaluated for inhibitory effect on growth of L1210 cells at IC50 (n=4)
|
ChEMBL.
|
2423690
|
IC50 (functional)
|
= 1.2 nM
|
In vitro inhibition of L1210 cell growth in rodent neoplastic cells
|
ChEMBL.
|
7108907
|
IC50 (functional)
|
= 2 nM
|
Compound was evaluated for the growth inhibition of L1210 cells.
|
ChEMBL.
|
1995880
|
IC50 (binding)
|
= 3 nM
|
Tested in vitro for inhibitory concentration against CCRF-CEM human Leukemic lymphoblast by using DHFR as primary target
|
ChEMBL.
|
8035423
|
IC50 (functional)
|
= 4 nM
|
Tested for inhibitory concentration against SCC-VII murine squamous carcinoma cell line
|
ChEMBL.
|
8035423
|
IC50 (functional)
|
= 4.4 nM
|
Growth inhibition of CCRF-CEM human leukemic lymphoblasts
|
ChEMBL.
|
10780919
|
IC50 (functional)
|
= 6.9 nM
|
Tested for inhibitory concentration against human SCC25 cell line
|
ChEMBL.
|
8035423
|
IC50 (functional)
|
= 7.1 nM
|
Compound was evaluated for growth inhibition of WI-L2 cells .
|
ChEMBL.
|
1995880
|
IC50 (binding)
|
= 11.8 nM
|
Tested for inhibitory concentration against human dihydrofolate reductase(DHFR)
|
ChEMBL.
|
8035423
|
IC50 (binding)
|
= 25 nM
|
Inhibition of dihydrofolate reductase (DHFR) from human cells (WI-L2/M4).
|
ChEMBL.
|
1995880
|
IC50 (binding)
|
= 25 nM
|
Inhibition of dihydrofolate reductase(DHFR) from L1210/R81 cells
|
ChEMBL.
|
3112397
|
IC50 (binding)
|
= 35 nM
|
Inhibition of dihydrofolate reductase (DHFR) from mouse cells (L1210/R71).
|
ChEMBL.
|
1995880
|
IC50 (functional)
|
= 200 nM
|
Inhibition of L1210/R81 murine leukemia cell growth
|
ChEMBL.
|
3112397
|
IC50 (functional)
|
= 0.001 uM
|
Tested for cell-growth inhibition against human leukemic lymphoblast CEM cells
|
ChEMBL.
|
2898531
|
IC50 (functional)
|
= 0.001 uM
|
Cell growth inhibition against CEM cell from human leukemic lymphoblasts
|
ChEMBL.
|
3872941
|
IC50 (functional)
|
= 0.001 uM
|
Compound was tested for its inhibitory concentration against human leukemic lymphoblasts (CEM Cells)
|
ChEMBL.
|
3462394
|
IC50 (functional)
|
= 0.0016 uM
|
Cell growth inhibition against human squamous cell carcinoma (SCC25) line
|
ChEMBL.
|
3872941
|
IC50 (functional)
|
= 0.002 uM
|
Evaluated in vitro for ability to inhibit the Detroit 98 cell lines
|
ChEMBL.
|
2299624
|
IC50 (functional)
|
= 0.002 uM
|
Compound was evaluated for cell growth inhibition of murine (L1210) leukemic cells
|
ChEMBL.
|
1992122
|
IC50 (functional)
|
= 0.002 uM
|
Tested for cell-growth inhibition against mouse leukemic L1210 cells
|
ChEMBL.
|
2898531
|
IC50 (functional)
|
= 0.002 uM
|
Compound was tested for its ability to inhibit growth of L1210 mouse leukemia cells
|
ChEMBL.
|
2871191
|
IC50 (functional)
|
= 0.002 uM
|
Ability of the compound to inhibit L1210 murine leukemia tumor cell growth in culture after 48 h of its exposure.
|
ChEMBL.
|
1992118
|
IC50 (binding)
|
= 0.002 uM
|
Inhibitory activity against dihydrofolate reductase(DHFR) isolated from L1210 murine leukemia cells
|
ChEMBL.
|
3351853
|
IC50 (functional)
|
= 0.002 uM
|
Cell growth inhibition against mouse leukemia L1210 cells
|
ChEMBL.
|
3872941
|
IC50 (functional)
|
= 0.002 uM
|
Inhibitory concentration against growth of L1210 cell line
|
ChEMBL.
|
3385730
|
IC50 (functional)
|
= 0.002 uM
|
Compound was tested for its inhibitory concentration to inhibit the growth of wild type L1210 cells.
|
ChEMBL.
|
3462394
|
IC50 (functional)
|
= 0.0023 uM
|
Evaluated in vitro for ability to inhibit the L cell lines.
|
ChEMBL.
|
2299624
|
IC50 (functional)
|
= 0.0025 uM
|
Cell growth inhibition against human squamous cell carcinoma (SCC78) line
|
ChEMBL.
|
3872941
|
IC50 (functional)
|
= 0.003 uM
|
Compound was tested for its inhibitory concentration to inhibit the growth of wild type L1210 cells.
|
ChEMBL.
|
3462394
|
IC50 (functional)
|
= 0.0037 uM
|
Cell growth inhibition against human squamous cell carcinoma (SCC68) line
|
ChEMBL.
|
3872941
|
IC50 (functional)
|
= 0.0043 uM
|
Cell growth inhibition against human squamous cell carcinoma (SCC25/R1) line
|
ChEMBL.
|
3872941
|
IC50 (functional)
|
= 0.007 uM
|
Compound was evaluated for cell growth inhibition of human (WI-L2) leukemic cells.
|
ChEMBL.
|
1992122
|
IC50 (functional)
|
= 0.0071 uM
|
Ability of the compound to inhibit WI-L2 murine leukemia tumor cell growth in culture after 48 h of its exposure.
|
ChEMBL.
|
1992118
|
IC50 (functional)
|
= 0.009 uM
|
Inhibition of cell growth against HuTu 80 human gastrointestinal adenocarcinoma cell lines in vitro
|
ChEMBL.
|
3612694
|
IC50 (functional)
|
= 0.014 uM
|
Cell growth inhibition against human squamous cell carcinoma (SCC78/R1) line
|
ChEMBL.
|
3872941
|
IC50 (functional)
|
= 0.015 uM
|
Inhibition of cell growth against SW480 human gastrointestinal adenocarcinoma cell lines in vitro
|
ChEMBL.
|
3612694
|
IC50 (functional)
|
= 0.018 uM
|
Inhibition of cell growth against HT-29 human gastrointestinal adenocarcinoma cell lines in vitro
|
ChEMBL.
|
3612694
|
IC50 (binding)
|
= 0.02 uM
|
Compound was tested for its inhibitory concentration to inhibit the enzyme DiHydro Folate Reductase (DHFR) from murine L1210 leukemia cells.
|
ChEMBL.
|
3462394
|
IC50 (binding)
|
= 0.025 uM
|
Compound was evaluated for Dihydrofolate Reductase (DHFR) inhibition
|
ChEMBL.
|
1992122
|
IC50 (binding)
|
= 0.025 uM
|
Tested for inhibition against purified Dihydrofolate reductase from L1210 murine leukemia cells
|
ChEMBL.
|
2898531
|
IC50 (binding)
|
= 0.025 uM
|
Ability of the compound to inhibit purified Dihydrofolate reductase from human leukemic lymphoblasts was determined spectrophotometrically at 340 nM.
|
ChEMBL.
|
1992118
|
IC50 (functional)
|
= 0.025 uM
|
Inhibition of cell growth against WIDR human gastrointestinal adenocarcinoma cell lines in vitro
|
ChEMBL.
|
3612694
|
IC50 (binding)
|
= 0.035 uM
|
Compound was tested for its ability to inhibit purified dihydrofolate reductase(DHFR) from L1210/R81 cells
|
ChEMBL.
|
2871191
|
IC50 (binding)
|
= 0.035 uM
|
Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells
|
ChEMBL.
|
3385730
|
IC50 (functional)
|
= 0.29 uM
|
Cell growth inhibition against human squamous cell carcinoma (SCC68/R1) line
|
ChEMBL.
|
3872941
|
IC50 (functional)
|
= 0.32 uM
|
Tested for cell-growth inhibition against human leukemic lymphoblast CEM/MTX cells
|
ChEMBL.
|
2898531
|
IC50 (functional)
|
= 0.32 uM
|
Cell growth inhibition against CEM/MTX cell from human leukemic lymphoblasts
|
ChEMBL.
|
3872941
|
IC50 (functional)
|
= 0.32 uM
|
Compound was tested for its inhibitory concentration against human leukemic lymphoblasts (CEM Cells) and a resistant subline (CEM / MTX).
|
ChEMBL.
|
3462394
|
IC50 (functional)
|
= 3 uM
|
Inhibitory activity against uptake of [3H]-MTX by human leukemia cells (CCRF-CEM)
|
ChEMBL.
|
8568828
|
IC50 (functional)
|
= 7.9 uM
|
Cell growth inhibition against mouse leukemia L1210/R71 cells
|
ChEMBL.
|
3872941
|
IC50 (functional)
|
= 84 uM
|
Tested for cell-growth inhibition against mouse leukemic L1210/R81 cells
|
ChEMBL.
|
2898531
|
IC50 (functional)
|
= 84 uM
|
Compound was tested for its ability to inhibit growth of L1210/R81 cells
|
ChEMBL.
|
2871191
|
IC50 (functional)
|
= 84 uM
|
Cell growth inhibition against mouse leukemia L1210/R81 cells
|
ChEMBL.
|
3872941
|
IC50 (functional)
|
= 84 uM
|
Inhibitory concentration against growth of L1210/R81 cell line
|
ChEMBL.
|
3385730
|
IC50 (functional)
|
= 84 uM
|
Compound was tested for its inhibitory concentration to inhibit the growth of wild type L1210 cells and a subline (L1210 / R81).
|
ChEMBL.
|
3462394
|
IC50/[E] (binding)
|
= 0.5
|
Compound was tested for inhibition of the enzyme DiHydroFolate Reductase (DHFR) from murine L1210 leukemia cells
|
ChEMBL.
|
3462394
|
ID50 (functional)
|
< 0.1 ug ml-1
|
Compound was tested in vitro for growth inhibitory activity against murine L1210 leukemia cell line
|
ChEMBL.
|
8258836
|
ID50 (functional)
|
< 0.1 ug ml-1
|
Compound was tested in vitro for growth inhibitory activity against murine B16 melanoma cell line
|
ChEMBL.
|
8258836
|
ID50 (functional)
|
= 0.0031 uM
|
Compound was evaluated for its cytotoxicity against the L1210 murine leukemia cell culture
|
ChEMBL.
|
6546949
|
ID50 (functional)
|
= 0.04 uM
|
Compound was evaluated for its antitumor activity by the inhibition of L1210 murine leukemia dihydrofolate reductase
|
ChEMBL.
|
6546949
|
ILS (functional)
|
= 89 %
|
Increase in life span of mice with L1210 leukemia cells at a dose of 0.5 mg/kg
|
ChEMBL.
|
3462394
|
ILS (functional)
|
= 122 %
|
Increase in life span of mice with L1210 leukemia cells at a dose of 1 mg/kg
|
ChEMBL.
|
3462394
|
Inhibition (functional)
|
= 0 %
|
Evaluated for reversal of L cell inhibition , where reversal of toxicity was evaluated by the addition of Thymidine + Hypoxanthine
|
ChEMBL.
|
2299624
|
Inhibition (functional)
|
= 6 %
|
Evaluated for reversal of L cell inhibition , where reversal of toxicity was evaluated by the addition of Leucovorin (0.2 uM)
|
ChEMBL.
|
2299624
|
Inhibition (functional)
|
= 68 %
|
Evaluated for reversal of L cell inhibition , where reversal of toxicity was evaluated by the addition of Thymidine (20 uM)
|
ChEMBL.
|
2299624
|
Inhibition (functional)
|
= 79 %
|
Evaluated for reversal of L cell inhibition , where reversal of toxicity was evaluated by the addition of Hypoxanthine (37 uM)
|
ChEMBL.
|
2299624
|
k (binding)
|
= 10.1
|
First order catalytic rate constants (k) was determined from mouse liver Folyl-polyglutamate synthase
|
ChEMBL.
|
2738886
|
K (ADMET)
|
= 0.21 min-1
|
The efflux rate constant of the compound
|
ChEMBL.
|
7143361
|
k (functional)
|
= 0.21 min-1
|
In vitro membrane transport activity in L1210 cells in rodent
|
ChEMBL.
|
7108907
|
K (functional)
|
= 0.31 min-1
|
Compound was evaluated for the efflux (K) mediated transport with respect to L1210 cells
|
ChEMBL.
|
2423690
|
Ki (functional)
|
= 0.0000012 M
|
Rate of influx of the compound into the L1210 cells
|
ChEMBL.
|
6793726
|
Ki (functional)
|
= 0.00000205 M
|
Rate of influx of compound into the Ehrlich cells
|
ChEMBL.
|
6793726
|
Ki (binding)
|
0 nM
|
Inhibition constant (Ki) was determined in HeLa cells towards dihydrofolate reductase; ND is defined as no data
|
ChEMBL.
|
6410066
|
Ki (binding)
|
= 0.0018 nM
|
Inhibitory activity against Wild-type human DHFR
|
ChEMBL.
|
7877140
|
Ki (binding)
|
= 0.0023 nM
|
Tested for inhibition of dihydrofolate reductase enzyme from mouse
|
ChEMBL.
|
7143361
|
Ki (binding)
|
= 0.004 nM
|
In vitro inhibitory activity against L1210 dihydrofolate reductase in rodent neoplastic cells
|
ChEMBL.
|
7108907
|
Ki (functional)
|
= 0.09 nM
|
Inhibition constant (Ki) was determined in Escherichia coli
|
ChEMBL.
|
6410066
|
Ki (functional)
|
= 0.11 nM
|
Inhibition constant (Ki) was determined in Lactobacillus casei
|
ChEMBL.
|
6410066
|
Ki (binding)
|
= 0.21 nM
|
Inhibitory activity against Leu22-Phe mutant human Dihydrofolate reductase
|
ChEMBL.
|
7877140
|
Ki (binding)
|
= 3.55 pM
|
Compound was evaluated for inhibitory effect on dihydrofolate reductase (DHFR) from L1210 cells at Inhibitory constant (n=3)
|
ChEMBL.
|
2423690
|
Ki (binding)
|
= 3.7 pM
|
Compound was evaluated for the inhibition of Dihydrofolate reductase at concentration ranged from 0.15-0.50 microM.
|
ChEMBL.
|
9857098
|
Ki (binding)
|
= 17.6 uM
|
Compound was tested for its ability to inhibit Folyl-polyglutamate synthase from mouse liver
|
ChEMBL.
|
2871191
|
Km (ADMET)
|
= 5.4
|
Km of the compound (FPGS substrate activity) for recombinant human FPGS
|
ChEMBL.
|
16078850
|
Km (ADMET)
|
= 21
|
Apparent Km (Michaelie's Menton constant) of the compound.
|
ChEMBL.
|
1992148
|
Km (functional)
|
= 1.2 uM
|
Compound was evaluated for the influx (Km) mediated transport with respect to L1210 cells
|
ChEMBL.
|
2423690
|
Km (binding)
|
= 1.21 uM
|
Michaelis constant of compound was determined from affinity towards carrier component of transport mechanism
|
ChEMBL.
|
7143361
|
Km (functional)
|
= 1.3 uM
|
In vitro membrane transport activity in L1210 cells in rodent
|
ChEMBL.
|
7108907
|
Km (functional)
|
= 2.1 uM
|
In vitro membrane transport activity in Ehrlich cells in rodent
|
ChEMBL.
|
7108907
|
Km (binding)
|
= 2.15 uM
|
Ability to act as a substrate for human folyglutamate synthetase (FPGS)
|
ChEMBL.
|
12408727
|
Km (binding)
|
= 3.2 uM
|
folylpolyglutamate synthetase activity measured as Km
|
ChEMBL.
|
11960504
|
Km (ADMET)
|
= 4.1 uM
|
Michaelis Menten constant was determined against CCRF-CEM Folyl-polyglutamate synthase
|
ChEMBL.
|
8277497
|
Km (binding)
|
= 4.3 uM
|
Inhibitory activity of compound was measured for CCRF-CEM human leukemia cell Folyl-polyglutamate synthase
|
ChEMBL.
|
7783147
|
Km (binding)
|
= 4.5 uM
|
Activity of the compound as substrate for recombinant human Folyl-polyglutamate synthase (rhFPGS)
|
ChEMBL.
|
10956221
|
Km (binding)
|
= 4.8 uM
|
Binding affinity of the compound was evaluated on CCRF-CEM human leukemia cell folylpolyglutamate synthetase.
|
ChEMBL.
|
9554874
|
Km (binding)
|
= 4.8 uM
|
Activity of the compound as substrate for recombinant human folylpolyglutamate synthase (FPGS).
|
ChEMBL.
|
11052789
|
Km (binding)
|
= 4.8 uM
|
Substrate activity of the compound against CCRF-CEM human leukemia cell Folyl-polyglutamate synthase
|
ChEMBL.
|
7562910
|
Km (binding)
|
= 4.9 uM
|
Activity of compound calculated as Km was tested as substrate for human Folyl-polyglutamate synthase
|
ChEMBL.
|
12570380
|
Km (ADMET)
|
= 6.8 uM
|
Activity is determined as substrate for CCRF-CEM human leukemia cell folylpolyglutamate synthetase
|
ChEMBL.
|
8164259
|
Km (binding)
|
= 20 uM
|
The apparent Km of compound as a substrate for partially purified mouse liver Folyl-polyglutamate synthase
|
ChEMBL.
|
2918520
|
Km (binding)
|
= 22.8 uM
|
Kinetic constant of compound was derived from purified Folyl-polyglutamate synthase from mouse liver
|
ChEMBL.
|
2918496
|
Km app (binding)
|
= 21
|
Apparent catalytic rate constants (Km) owas determined from mouse liver Folyl-polyglutamate synthase
|
ChEMBL.
|
2738886
|
Km app (binding)
|
= 17.6 M
|
Activity(apparent Km ) of the compound was evaluated in vitro by purified mouse liver folate polyglutamate synthetase (FPGS) .
|
ChEMBL.
|
4009615
|
Km app (binding)
|
= 24.4 uM
|
Apparent Km in microM for its activation for Hog Liver Folyl-polyglutamate synthase was determined
|
ChEMBL.
|
2299624
|
MIC50 (functional)
|
= 0.61 nM
|
Minimum inhibitory concentration of compound was tested for growth inhibition of L1210 cells.
|
ChEMBL.
|
7143361
|
Potency (functional)
|
= 0.0126 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
0.0169 uM
|
PubChem BioAssay. qHTS screen for enhancers of Arylsulfatase A (ASA1): LOPAC Validation Assay. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
0.0183 uM
|
PUBCHEM_BIOASSAY: Validation screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493143, AID504466]
|
ChEMBL.
|
No reference
|
Potency (binding)
|
= 0.0224 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 0.0316 um
|
PUBCHEM_BIOASSAY: Validation of Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 0.0447 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
0.058 uM
|
PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
0.0738 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)
|
0.077 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)
|
0.092 uM
|
PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors: Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493163, AID504444, AID504648]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
0.1 uM
|
PubChem BioAssay. qHTS assay for small molecule activators of the p53 signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
0.1458 uM
|
PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
0.1499 uM
|
PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
0.1651 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)
|
2.6679 uM
|
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]
|
ChEMBL.
|
No reference
|
Potency (binding)
|
3.5481 uM
|
PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 10 um
|
PUBCHEM_BIOASSAY: qHTS Validation Assay for Identification of Novel General Anesthetics. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 11.2202 um
|
PUBCHEM_BIOASSAY: Counterscreen for APE1 Inhibitors: qHTS Validation Assay for Inhibitors of Endonuclease IV. (Class of assay: confirmatory) [Related pubchem assays: 1705, 1707 ]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
11.2202 uM
|
PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 12.5893 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 15.8489 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)
|
16.1366 uM
|
PUBCHEM_BIOASSAY: S16 Schwann cell PMP22 intronic element firefly luciferase assay. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 19.9526 um
|
PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 594 (Rhodamine region spectral profiling screen)]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 19.9526 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 19.9526 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
19.9526 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)
|
23.7781 uM
|
PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors for MPP8 Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
23.7781 uM
|
PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771, AID488773, AID587]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 25.1189 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 25.1189 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
26.8545 uM
|
PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
26.8545 uM
|
PUBCHEM_BIOASSAY: qHTS Validation Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504632]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 28.1838 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
28.1838 uM
|
PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
29.081 uM
|
PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 31.6228 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-7. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 31.6228 um
|
PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) [Related pubchem assays: 1707, 1708 ]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
31.6228 uM
|
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 35.4813 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
35.4813 uM
|
PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
37.933 uM
|
PUBCHEM_BIOASSAY: qHTS Validation Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
37.933 uM
|
PUBCHEM_BIOASSAY: qHTS Validation Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504591]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 39.8107 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 39.8107 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
39.8107 uM
|
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
39.8107 uM
|
PUBCHEM_BIOASSAY: Inhibitors of USP1/UAF1: Pilot qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504878]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
39.8107 uM
|
PubChem BioAssay. qHTS assay for small molecule activators of the nuclear factor-kappa B (NF-kB) signaling pathway. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
42.2841 uM
|
PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
44.6684 uM
|
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
44.6684 uM
|
PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
50.1187 uM
|
PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
50.1187 uM
|
PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
56.2341 uM
|
PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors for MPP8 Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
56.2341 uM
|
PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638]
|
ChEMBL.
|
No reference
|
Potency (functional)
|
89.1251 uM
|
PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]
|
ChEMBL.
|
No reference
|
Rate (functional)
|
= 165 pM min-1 (g dry weight)-1
|
Compound was evaluated for rate of anabolism to polyglutamate accumulation in L1210 cells
|
ChEMBL.
|
2423690
|
Rate constant (ADMET)
|
= 10.1
|
First-order rate constant was determined
|
ChEMBL.
|
1447744
|
Ratio (ADMET)
|
= 0.19
|
Ratio of Vmax, rel to Km of the compound (FPGS substrate activity) for recombinant human FPGS
|
ChEMBL.
|
16078850
|
Ratio (ADMET)
|
= 0.21
|
Ratio between Vmax and Km for compound as substrate for recombinant human folylpolyglutamate synthase (FPGS)
|
ChEMBL.
|
11052789
|
Ratio (binding)
|
= 0.21
|
Ratio of Vmax to Km
|
ChEMBL.
|
7562910
|
Ratio (binding)
|
= 0.23
|
ratio of vmax to Km
|
ChEMBL.
|
10956221
|
Ratio (binding)
|
= 1
|
Ratio of Vmax and Km relative to AMT
|
ChEMBL.
|
2918496
|
Ratio (binding)
|
= 5.9
|
Ratio of app Km to ral Vmax
|
ChEMBL.
|
2299624
|
Ratio (ADMET)
|
= 10.1
|
Ratio of relative Vmax to that of Km values.
|
ChEMBL.
|
1992148
|
Relative activity (binding)
|
= 37
|
Tested in vitro for relative activity against CCRF-CEM human Leukemic lymphoblast by using DHFR as primary target
|
ChEMBL.
|
8035423
|
Relative activity (functional)
|
= 100
|
Relative activity of the compound when compared to the activity of aminopterin in CCRF-CEM Human leukemia cell at a concentration of 50 microM.
|
ChEMBL.
|
1992121
|
Relative Km (binding)
|
= 0.21
|
Activity(relative Km ) of the compound was evaluated in vitro by purified mouse liver folate polyglutamate synthetase (FPGS) .
|
ChEMBL.
|
4009615
|
Relative Vmax (ADMET)
|
= 1
|
Activity relative to saturating aminopterine at 100 microM against CCRF-CEM Folypolyglutamate synthetase
|
ChEMBL.
|
8277497
|
Relative Vmax (binding)
|
= 1
|
Activity of substrate for human FPGS was evaluated and compared to that of aminopterin (AMT)
|
ChEMBL.
|
9554874
|
Relative Vmax (binding)
|
= 1.5
|
Activity(relative Vmax) of the compound was evaluated in vitro by purified mouse liver folate polyglutamate synthetase (FPGS) .
|
ChEMBL.
|
4009615
|
Relative Vmax (ADMET)
|
= 1.59
|
Relative maximum volume distribution of the compound.
|
ChEMBL.
|
1992148
|
Relative Vmax (binding)
|
= 144 %
|
Relative Vmax for its activation for Hog Liver Folyl-polyglutamate synthase was determined
|
ChEMBL.
|
2299624
|
Resistance (binding)
|
= 44000
|
Fold resistance of the compound calculated by dividing the IC50(L1210/R81) by the IC50(L1210)
|
ChEMBL.
|
3112397
|
Selectivity (binding)
|
= 120
|
Selectivity ratio of Ki value against mutant DHFR and Wild-type DHFR
|
ChEMBL.
|
7877140
|
Specific activity (binding)
|
= 1.91 pM hr-1 (mg of protein)-1
|
Specific activity of L1210 Folyl-polyglutamate synthase
|
ChEMBL.
|
8277497
|
Survival (functional)
|
= 17 day
|
Median Survival days of mice infected with L1210 leukemia cells at dose 0.5 mg/kg relative to that of 9 days for control
|
ChEMBL.
|
3462394
|
Survival (functional)
|
= 20 day
|
Median Survival days of mice infected with L1210 leukemia cells at dose 1 mg/kg relative to that of 9 days for control
|
ChEMBL.
|
3462394
|
Survival days (functional)
|
= 0
|
In vivo antitumor activity was evaluated against L1210 leukemia implanted mice by measuring T/C median after intraperitoneal administration of compound at 0.06 mg/kg; T/C median=12/8
|
ChEMBL.
|
6546949
|
Survival days (functional)
|
= 11
|
In vivo antitumor activity was evaluated against L1210 leukemia implanted mice by measuring number of survival days after intraperitoneal administration of compound at 0.06 mg/kg at a range of 11-13
|
ChEMBL.
|
6546949
|
Survival days (functional)
|
= 12
|
In vivo antitumor activity was evaluated against L1210 leukemia implanted mice by measuring number of survival days after intraperitoneal administration of compound at 0.12 mg/kg at a range of 12-15
|
ChEMBL.
|
6546949
|
Survival days (functional)
|
= 12
|
In vivo antitumor activity was evaluated against L1210 leukemia implanted mice by measuring number of survival days after intraperitoneal administration of compound at 0.24 mg/kg at a range of 12-20
|
ChEMBL.
|
6546949
|
Survival days (functional)
|
= 14
|
In vivo antitumor activity was evaluated against L1210 leukemia implanted mice by measuring T/C median after intraperitoneal administration of compound at 0.12 mg/kg; T/C median=14/8
|
ChEMBL.
|
6546949
|
Survival days (functional)
|
= 19
|
In vivo antitumor activity was evaluated against L1210 leukemia implanted mice by measuring T/C median after intraperitoneal administration of compound at 0.24 mg/kg; T/C median=19/8
|
ChEMBL.
|
6546949
|
Vmax (binding)
|
= 1
|
Vmax of compound was derived from purified Folyl-polyglutamate synthase from mouse liver
|
ChEMBL.
|
2918496
|
Vmax (ADMET)
|
= 1
|
Kinetic parameter Vmax of the compound
|
ChEMBL.
|
12408727
|
Vmax (binding)
|
= 1
|
Activity of the compound as substrate for recombinant human Folyl-polyglutamate synthase (rhFPGS) relative to aminopterin.
|
ChEMBL.
|
10956221
|
Vmax (ADMET)
|
= 1
|
Relative Vmax of compound was measured.
|
ChEMBL.
|
7783147
|
Vmax (ADMET)
|
= 1
|
The maximum velocity at which substrate concentration is stabilised is determined for compound as substrate for recombinant human folylpolyglutamate synthase (FPGS)
|
ChEMBL.
|
11052789
|
Vmax (binding)
|
= 1
|
Vmax value of the compound for substrate activity against CCRF-CEM human leukemia cell Folyl-polyglutamate synthase
|
ChEMBL.
|
7562910
|
Vmax (binding)
|
= 1.59
|
Catalytic rate constants (Vmax) was determined from mouse liver Folyl-polyglutamate synthase
|
ChEMBL.
|
2738886
|
Vmax (ADMET)
|
= 7.83 nM min-1 g-1
|
Influx velocity of the compound
|
ChEMBL.
|
7143361
|
Vmax (binding)
|
= 1 rel
|
folylpolyglutamate synthetase activity measured as Vmax; rel means relative
|
ChEMBL.
|
11960504
|
Vmax (ADMET)
|
= 1 rel
|
Activity is determined as substrate for CCRF-CEM human leukemia cell folylpolyglutamate synthetase
|
ChEMBL.
|
8164259
|
Vmax (binding)
|
= 1 uM
|
Activity of compound calculated as maximum activity of substrate for human Folyl-polyglutamate synthase relative to the maximum activity for aminopterin
|
ChEMBL.
|
12570380
|
Vmax rel (ADMET)
|
= 1
|
Vmax, rel of the compound (FPGS substrate activity) for recombinant human FPGS
|
ChEMBL.
|
16078850
|
Weight change (functional)
|
= -12 %
|
In vivo antitumor activity was evaluated against L1210 leukemia implanted mice by measuring 7-day weight change after intraperitoneal administration of compound at 0.24 mg/kg
|
ChEMBL.
|
6546949
|
Weight change (functional)
|
= -5 %
|
Compound was tested against weight change in mice with L1210 leukemia cells on 7 th Day at Dose 1 mg / kg
|
ChEMBL.
|
3462394
|
Weight change (functional)
|
= -4 %
|
Compound was tested against weight change in mice with L1210 leukemia cells on 7 th Day at Dose 0.5 mg / kg
|
ChEMBL.
|
3462394
|
Weight change (functional)
|
= 1 %
|
In vivo antitumor activity was evaluated against L1210 leukemia implanted mice by measuring 7-day weight change after intraperitoneal administration of compound at 0.06 mg/kg
|
ChEMBL.
|
6546949
|
Weight change (functional)
|
= 3 %
|
In vivo antitumor activity was evaluated against L1210 leukemia implanted mice by measuring 7-day weight change after intraperitoneal administration of compound at 0.12 mg/kg
|
ChEMBL.
|
6546949
|