BDBM50005860 2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-4-(ethoxy-hydroxy-phosphoryl)-butyric acid::CHEMBL41459

SMILES: CCOP(O)(=O)CCC(NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3C2)cc1)C(O)=O

InChI Key: InChIKey=GPUSXKHIVFTONZ-UHFFFAOYSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50005860   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Folylpoly-gamma-glutamate synthetase (Mus musculus)	BDBM50005860 (2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[...) Show SMILES CCOP(O)(=O)CCC(NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3C2)cc1)C(O)=O Show InChI InChI=1S/C21H29N6O7P/c1-2-34-35(32,33)8-7-16(20(30)31)25-18(28)13-3-5-14(6-4-13)23-10-12-9-15-17(24-11-12)26-21(22)27-19(15)29/h3-6,12,16,23H,2,7-11H2,1H3,(H,25,28)(H,30,31)(H,32,33)(H4,22,24,26,27,29)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description In vitro inhibition of mouse liver Folyl-polyglutamate synthase				J Med Chem 35: 1578-88 (1992) BindingDB Entry DOI: 10.7270/Q2028S6J
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50005860 (2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[...) Show SMILES CCOP(O)(=O)CCC(NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3C2)cc1)C(O)=O Show InChI InChI=1S/C21H29N6O7P/c1-2-34-35(32,33)8-7-16(20(30)31)25-18(28)13-3-5-14(6-4-13)23-10-12-9-15-17(24-11-12)26-21(22)27-19(15)29/h3-6,12,16,23H,2,7-11H2,1H3,(H,25,28)(H,30,31)(H,32,33)(H4,22,24,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description In vitro inhibition of human thymidylate synthase (TS)				J Med Chem 35: 1578-88 (1992) BindingDB Entry DOI: 10.7270/Q2028S6J
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50005860 (2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[...) Show SMILES CCOP(O)(=O)CCC(NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3C2)cc1)C(O)=O Show InChI InChI=1S/C21H29N6O7P/c1-2-34-35(32,33)8-7-16(20(30)31)25-18(28)13-3-5-14(6-4-13)23-10-12-9-15-17(24-11-12)26-21(22)27-19(15)29/h3-6,12,16,23H,2,7-11H2,1H3,(H,25,28)(H,30,31)(H,32,33)(H4,22,24,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description In vitro inhibition of human dihydrofolate reductase (DHFR)				J Med Chem 35: 1578-88 (1992) BindingDB Entry DOI: 10.7270/Q2028S6J
					More data for this Ligand-Target Pair