BDBM18050 2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid::CHEMBL34259::MTX::Methotrexate::cid_126941
SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI Key InChIKey=FBOZXECLQNJBKD-ZDUSSCGKSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 181 hits for monomerid = 18050
TargetDihydrofolate reductase(Homo sapiens (Human))
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Affinity DataKi: 0.000340nMAssay Description:Inhibition of human DHFR by spectrophotometric analysisMore data for this Ligand-Target Pair
3D Structure (crystal)TargetDihydrofolate reductase(Homo sapiens (Human))
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Affinity DataKi: 0.00120nMAssay Description:Inhibitory activity against Wild-type human DHFRMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Affinity DataKi: 0.00300nMAssay Description:Inhibition of recombinant human DHFR assessed as reduction in NADPH oxidation using dihydrofolate as substrate by fluorescence spectrophotometric ana...More data for this Ligand-Target Pair
Affinity DataKi: 0.00320nMAssay Description:Tested for inhibition of dihydrofolate reductase enzymeMore data for this Ligand-Target Pair
Affinity DataKi: 0.00400nMAssay Description:Inhibition constant of compound against L. casei Dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataKi: 0.00400nMAssay Description:Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.00430nMAssay Description:Inhibition of Dihydrofolate reductase in mouse L1210 cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.00480nMAssay Description:Compound was evaluated in vitro for the inhibition of dihydrofolate reductase (DHFR) in L1210 cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.00482nMAssay Description:Inhibitory activity of Dihydrofolate reductase in L1210 cellsMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Affinity DataKi: 0.00500nMAssay Description:Compound was evaluated for the inhibition of Dihydrofolate reductase at concentration ranged from 0.15-0.50 uMMore data for this Ligand-Target Pair
Affinity DataKi: 0.00528nMAssay Description:The compound was tested for its inhibitory activity against Dihydrofolate reductase derived from L1210 cells.More data for this Ligand-Target Pair
Affinity DataKi: 0.00545nMAssay Description:Evaluated for inhibition of dihydrofolate reductase (DHFR) isolated from L1210 cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.00548nMAssay Description:Compound was evaluated for inhibitory effect on dihydrofolate reductase (DHFR) from L1210 cells at Inhibitory constant (n=3)More data for this Ligand-Target Pair
Affinity DataKi: 0.00581nMAssay Description:In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in miceMore data for this Ligand-Target Pair
Affinity DataKi: 0.00600nMAssay Description:Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.More data for this Ligand-Target Pair
Affinity DataKi: 0.00600nMAssay Description:In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in miceMore data for this Ligand-Target Pair
Affinity DataKi: 0.00600nMAssay Description:In vitro inhibitory activity against L1210 dihydrofolate reductase in rodent neoplastic cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.00600nMAssay Description:Inhibition of the dihydrofolate reductase enzyme(DHFR) derived from L1210 murine leukemia cells.More data for this Ligand-Target Pair
Affinity DataKi: 0.00600nMAssay Description:Inhibition of Dihydrofolate reductase (DHFR) enzyme derived from L1210 cells expressed as Ki (pM)More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Pneumocystis carinii)
Indiana University School Of Medicine
Curated by ChEMBL
Indiana University School Of Medicine
Curated by ChEMBL
Affinity DataKi: 0.00800nMAssay Description:Binding affinity of the compound was reported with purified recombinant P. carnii Dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Affinity DataKi: 0.0380nMAssay Description:Inhibitory activity against Trypanosoma cruzi dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Affinity DataKi: 0.110nMAssay Description:Inhibitory activity against Leu22-Phe mutant human Dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Affinity DataKi: 0.179nMAssay Description:Inhibitory activity against dihydrofolate reductase in humansMore data for this Ligand-Target Pair
Affinity DataKi: 1nMAssay Description:Inhibition of Staphylococcus aureus DHFRMore data for this Ligand-Target Pair
Affinity DataKi: 39nMAssay Description:Inhibition of Leishmania major recombinant PTR1More data for this Ligand-Target Pair
Affinity DataKi: 180nMAssay Description:Inhibition of Leishmania major PTR1 by spectrophotometric assayMore data for this Ligand-Target Pair
Affinity DataKi: 600nMAssay Description:Inhibition of human TS by spectrophotometric analysisMore data for this Ligand-Target Pair
TargetReduced folate transporter(Homo sapiens (Human))
The Institute Of Cancer Research
Curated by ChEMBL
The Institute Of Cancer Research
Curated by ChEMBL
Affinity DataKi: 3.50E+3nMAssay Description:Affinity towards RFC measured by the inhibition of [3H]-MTX uptakeMore data for this Ligand-Target Pair
Affinity DataKi: 3.90E+3nMAssay Description:Binding affinity of the compound towards Dihydrofolate reductase derived from L1210 cells using [3H]- MTX as the radioligandMore data for this Ligand-Target Pair
Affinity DataKi: 3.90E+3nMAssay Description:Binding affinity of the compound towards Dihydrofolate reductase derived from L1210 cells using [3H]- MTX as the radioligandMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Affinity DataKi: 4.42E+3nMAssay Description:Inhibition of human dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataKi: 4.50E+4nMAssay Description:Inhibitory activity against thymidylate synthase in murine tumor cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 15nMAssay Description:Inhibition of Bacillus anthracis DHFRMore data for this Ligand-Target Pair
Affinity DataIC50: 15nMAssay Description:Inhibition of Bacillus anthracis DHFRMore data for this Ligand-Target Pair
Affinity DataIC50: 80nMAssay Description:Inhibition of bovine liver DHFR measured every 1 min for 10 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 15nMpH: 7.1 T: 2°CAssay Description:Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...More data for this Ligand-Target Pair
Affinity DataIC50: 15.1nMpH: 7.0 T: 2°CAssay Description:Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Affinity DataIC50: 24.3nMpH: 7.0 T: 2°CAssay Description:Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...More data for this Ligand-Target Pair
Affinity DataIC50: 3nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Affinity DataIC50: 20nMAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
Affinity DataIC50: 8.80nMAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Affinity DataIC50: 22nM EC50: 12.5nMpH: 7.4 T: 2°CAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
Affinity DataIC50: 6.60nMpH: 7.4 T: 2°CAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
Affinity DataIC50: 2.90E+4nMAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
Affinity DataIC50: 6.60nMpH: 7.4 T: 2°CAssay Description:Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Affinity DataIC50: 22nM EC50: 13.3nMAssay Description:Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.More data for this Ligand-Target Pair
Affinity DataIC50: 24nMpH: 7.0 T: 2°CAssay Description:Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Universita` Degli Studi Di Sassari
Curated by ChEMBL
Affinity DataIC50: 20nMAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
Affinity DataIC50: 8.80nMAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
Affinity DataEC50: 1nMAssay Description:CAII assays were performed at CEREP (paris). All other kinase assays were performed at Upstate (Dundee, UK).More data for this Ligand-Target Pair