Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50253039'   

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))	BDBM50253039 (2-Amino-6-methyl-5-(pyridin-4-ylsulfanyl)thieno[2,...) Show SMILES Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccncc1 Show InChI InChI=1S/C12H10N4OS2/c1-6-9(19-7-2-4-14-5-3-7)8-10(17)15-12(13)16-11(8)18-6/h2-5H,1H3,(H3,13,15,16,17)	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	280	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)	BDBM50253039 (2-Amino-6-methyl-5-(pyridin-4-ylsulfanyl)thieno[2,...) Show SMILES Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccncc1 Show InChI InChI=1S/C12H10N4OS2/c1-6-9(19-7-2-4-14-5-3-7)8-10(17)15-12(13)16-11(8)18-6/h2-5H,1H3,(H3,13,15,16,17)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	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