BDBM18771 (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid::CB3717::CHEMBL389051::PDDF
SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
InChI Key InChIKey=LTKHPMDRMUCUEB-IBGZPJMESA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 14 hits for monomerid = 18771
Affinity DataKi: 3.40nMAssay Description:Binding affinity against Thymidylate synthase was measured in vitroMore data for this Ligand-Target Pair
Affinity DataKi: 7nMAssay Description:Compound was evaluated for the alpha-Adrenoceptor pA2 blocking activity in vitro in rabbit thoracic aortaMore data for this Ligand-Target Pair
Affinity DataKi: 10nMAssay Description:Compound was tested for inhibition of Thymidylate Synthase in L. casei,More data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataKi: 30nM ΔG°: -10.1kcal/molepH: 7.0 T: 2°CAssay Description:The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...More data for this Ligand-Target Pair
Affinity DataKi: 30nMAssay 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 DataKi: 60nM ΔG°: -9.68kcal/molepH: 7.0 T: 2°CAssay Description:The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...More data for this Ligand-Target Pair
Affinity DataKi: 60nM ΔG°: -9.68kcal/molepH: 7.4 T: 2°CAssay 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 DataKi: 60nMAssay 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 DataKi: 60nM ΔG°: -9.68kcal/molepH: 7.0 T: 2°CAssay Description:The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...More data for this Ligand-Target Pair
Affinity DataKi: 75nMAssay Description:Inhibitory activity against Dihydrofolate reductase in rat liverMore data for this Ligand-Target Pair
Affinity DataKi: 80nM ΔG°: -9.51kcal/molepH: 7.0 T: 2°CAssay Description:The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...More data for this Ligand-Target Pair
Affinity DataKi: 240nM ΔG°: -8.87kcal/molepH: 7.0 T: 2°CAssay Description:The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...More data for this Ligand-Target Pair
Affinity DataKi: 1.00E+3nMAssay Description:Binding affinity against thymidylate synthase from murine leukemia L1210More data for this Ligand-Target Pair
Affinity DataKi: 2.00E+4nMAssay Description:Binding affinity against human enzyme thymidylate synthase derived from either HeLa or KB cellsMore data for this Ligand-Target Pair