Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50046653'   

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))	BDBM50046653 (2-Amino-6-chloro-5-(pyridin-4-ylsulfanyl)-3H-quina...) Show SMILES Nc1nc2ccc(Cl)c(Sc3ccncc3)c2c(=O)[nH]1 Show InChI InChI=1S/C13H9ClN4OS/c14-8-1-2-9-10(12(19)18-13(15)17-9)11(8)20-7-3-5-16-6-4-7/h1-6H,(H3,15,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase				J Med Chem 36: 733-46 (1993) BindingDB Entry DOI: 10.7270/Q2HM57JF
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50046653 (2-Amino-6-chloro-5-(pyridin-4-ylsulfanyl)-3H-quina...) Show SMILES Nc1nc2ccc(Cl)c(Sc3ccncc3)c2c(=O)[nH]1 Show InChI InChI=1S/C13H9ClN4OS/c14-8-1-2-9-10(12(19)18-13(15)17-9)11(8)20-7-3-5-16-6-4-7/h1-6H,(H3,15,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase				J Med Chem 36: 733-46 (1993) BindingDB Entry DOI: 10.7270/Q2HM57JF
					More data for this Ligand-Target Pair