Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50027920'   

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 (Lactobacillus casei)	BDBM50027920 (5-quinonyl-deoxyuridinemonophosphate | CHEMBL8016) Show SMILES OC1CC(OC1OP([O-])([O-])=O)n1cc(C(=O)CBr)c(=O)[nH]c1=O Show InChI InChI=1S/C10H12BrN2O9P/c11-2-6(15)4-3-13(10(17)12-8(4)16)7-1-5(14)9(21-7)22-23(18,19)20/h3,5,7,9,14H,1-2H2,(H,12,16,17)(H2,18,19,20)/p-2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inactivation of thymidylate synthetase measured asKi at 6.8 pH 30 degrees centigrade temp				J Med Chem 26: 1028-36 (1983) BindingDB Entry DOI: 10.7270/Q2VD6XG7
					More data for this Ligand-Target Pair