Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50252968'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thymidylate synthase (Homo sapiens (Human))	BDBM50252968 (CHEMBL522363 | N-{4-[(2-Amino-6-methyl-4-oxo-3,4-d...) Show SMILES Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N(CCC(O)=O)C(O)=O Show InChI InChI=1S/C18H16N4O6S2/c1-8-13(12-14(25)20-17(19)21-15(12)29-8)30-10-4-2-9(3-5-10)16(26)22(18(27)28)7-6-11(23)24/h2-5H,6-7H2,1H3,(H,23,24)(H,27,28)(H3,19,20,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase				J Med Chem 51: 5789-97 (2008) Article DOI: 10.1021/jm8006933 BindingDB Entry DOI: 10.7270/Q2FF3T7B
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50252968 (CHEMBL522363 | N-{4-[(2-Amino-6-methyl-4-oxo-3,4-d...) Show SMILES Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N(CCC(O)=O)C(O)=O Show InChI InChI=1S/C18H16N4O6S2/c1-8-13(12-14(25)20-17(19)21-15(12)29-8)30-10-4-2-9(3-5-10)16(26)22(18(27)28)7-6-11(23)24/h2-5H,6-7H2,1H3,(H,23,24)(H,27,28)(H3,19,20,21,25)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli thymidylate synthase				J Med Chem 51: 5789-97 (2008) Article DOI: 10.1021/jm8006933 BindingDB Entry DOI: 10.7270/Q2FF3T7B
					More data for this Ligand-Target Pair