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 269 hits for monomerid = 18050
Affinity DataKi: 0.000340nMAssay Description:Inhibition of human DHFR by spectrophotometric analysisMore data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataKi: 0.00100nMAssay Description:Inhibition of recombinant Escherichia coli DHFRMore data for this Ligand-Target Pair
Affinity DataKi: 0.00120nMAssay Description:Inhibitory activity against Wild-type human DHFRMore data for this Ligand-Target Pair
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
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
Affinity DataKi: 0.0210nMAssay Description:Binding affinity against Dihydrofolate reductase of Escherichia coliMore data for this Ligand-Target Pair
Affinity DataKi: 0.0380nMAssay Description:Inhibitory activity against Trypanosoma cruzi dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataKi: 0.110nMAssay Description:Inhibitory activity against Leu22-Phe mutant human Dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Leishmania major)
TBA
Curated by ChEMBL
TBA
Curated by ChEMBL
Affinity DataKi: 0.129nMAssay Description:Inhibition of dihydrofolate reductase (DHFR) from Leishmania majorChecked by AuthorMore data for this Ligand-Target Pair
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: 330nMAssay Description:Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 9.5More data for this Ligand-Target Pair
Affinity DataKi: 600nMAssay Description:Inhibition of human TS by spectrophotometric analysisMore data for this Ligand-Target Pair
Affinity DataKi: 2.40E+3nM ΔG°: -7.66kcal/molepH: 5.5 T: 25°CAssay Description:Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7More data for this Ligand-Target Pair
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
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 DataKi: 9.00E+4nMAssay Description:TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicles from Mrp3-expressing Sf9 cellsMore data for this Ligand-Target Pair
Affinity DataKi: 9.10E+4nM IC50: 1.14E+5nMAssay Description:Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc...More data for this Ligand-Target Pair
Affinity DataKi: 1.37E+5nM IC50: 1.42E+5nMAssay Description:In order to determine the effects of some drugs on human 6PGD, concentrations of ketotifen (0.0018-0.0282 mM), dacarbazine (0.0049-0.054 mM), meloxic...More data for this Ligand-Target Pair
Affinity DataKi: 1.66E+5nMAssay Description:Compound was tested for its ability to inhibit Folyl-polyglutamate synthase from mouse liverMore data for this Ligand-Target Pair
Affinity DataKi: 1.70E+5nMAssay Description:Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 8.5More data for this Ligand-Target Pair
Affinity DataKi: 2.22E+5nMAssay Description:In the inhibition experiments, the cells were preincubated for 20 s with test compounds, followed by a 5-min incubation with [3H]E3S (5 nM) or 30-min...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 2(Rat)
Toho University School of Pharmaceutical Sciences
Curated by ChEMBL
Toho University School of Pharmaceutical Sciences
Curated by ChEMBL
Affinity DataKi: 2.36E+5nMAssay Description:TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD ratMore data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 2(Rat)
Toho University School of Pharmaceutical Sciences
Curated by ChEMBL
Toho University School of Pharmaceutical Sciences
Curated by ChEMBL
Affinity DataKi: 3.26E+5nMAssay Description:TP_TRANSPORTER: inhibition of L-MTX uptake in bile canalicular membrane vesicles from SD ratMore data for this Ligand-Target Pair
Affinity DataKi: 5.97E+5nMAssay Description:Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hrMore data for this Ligand-Target Pair
Affinity DataKi: 8.91E+5nMAssay Description:Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hrMore data for this Ligand-Target Pair
Affinity DataKi: 1.20E+6nMAssay Description:TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP3-expressing Sf9 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