Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50046666'   

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))	BDBM50046666 (6-Ethyl-2-methyl-5-(pyridin-4-ylsulfanyl)-3H-quina...) Show SMILES CCc1ccc2nc(C)[nH]c(=O)c2c1Sc1ccncc1 Show InChI InChI=1S/C16H15N3OS/c1-3-11-4-5-13-14(16(20)19-10(2)18-13)15(11)21-12-6-8-17-9-7-12/h4-9H,3H2,1-2H3,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	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))	BDBM50046666 (6-Ethyl-2-methyl-5-(pyridin-4-ylsulfanyl)-3H-quina...) Show SMILES CCc1ccc2nc(C)[nH]c(=O)c2c1Sc1ccncc1 Show InChI InChI=1S/C16H15N3OS/c1-3-11-4-5-13-14(16(20)19-10(2)18-13)15(11)21-12-6-8-17-9-7-12/h4-9H,3H2,1-2H3,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	590	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