BDBM50011243 2-{4-[(4-Hydroxy-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::2-{4-[(4-Oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::CHEMBL171480
SMILES OC(=O)CCC(NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc[nH]c(=O)c2c1)C(O)=O
InChI Key InChIKey=AOGOUTMDEVCZHA-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 5 hits for monomerid = 50011243
TargetThymidylate synthase(Homo sapiens (Human))
Parke-Davis Pharmaceutical Research Division
Curated by ChEMBL
Parke-Davis Pharmaceutical Research Division
Curated by ChEMBL
Affinity DataKi: 26nMAssay Description:Binding affinity of the compound against thymidylate synthaseMore data for this Ligand-Target Pair
Affinity DataKi: 2.25E+3nMAssay Description:Compound was evaluated for the inhibition of partially purified rat liver Dihydrofolate reductase (DHFR) enzyme.More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Lactobacillus casei)
Parke-Davis Pharmaceutical Research Division
Curated by ChEMBL
Parke-Davis Pharmaceutical Research Division
Curated by ChEMBL
Affinity DataKi: 2.50E+3nMAssay Description:Binding affinity of the compound against Dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataIC50: 160nMAssay Description:The compound was not tested for inhibition of L1210 Thymidylate synthase due to insolubilityMore data for this Ligand-Target Pair
Affinity DataIC50: 160nMAssay Description:Inhibitory concentration of compound to inhibit Thymidylate synthase (TS) in L1210 cells at conc. of 200 microMMore data for this Ligand-Target Pair