Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50444517'   

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))	BDBM50444517 (CHEMBL3099582) Show SMILES Nc1nc2[nH]c3cccc(Sc4ccc5ccccc5c4)c3c2c(=O)[nH]1 Show InChI InChI=1S/C20H14N4OS/c21-20-23-18-17(19(25)24-20)16-14(22-18)6-3-7-15(16)26-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,(H4,21,22,23,24,25)	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human TS using dUMP and methylene-THF as substrate by kaleidagraph analysis				ACS Med Chem Lett 4: 1148-1151 (2013) Article DOI: 10.1021/ml400208v BindingDB Entry DOI: 10.7270/Q2FJ2J7P
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50444517 (CHEMBL3099582) Show SMILES Nc1nc2[nH]c3cccc(Sc4ccc5ccccc5c4)c3c2c(=O)[nH]1 Show InChI InChI=1S/C20H14N4OS/c21-20-23-18-17(19(25)24-20)16-14(22-18)6-3-7-15(16)26-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,(H4,21,22,23,24,25)	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human TS using dUMP and methylene-THF as substrate by kaleidagraph analysis				ACS Med Chem Lett 4: 1148-1151 (2013) Article DOI: 10.1021/ml400208v BindingDB Entry DOI: 10.7270/Q2FJ2J7P
					More data for this Ligand-Target Pair