Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50404975'   

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)	BDBM50404975 (CHEMBL2051976) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(C(=O)CBr)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C11H14BrN2O9P/c12-2-7(16)5-3-14(11(18)13-10(5)17)9-1-6(15)8(23-9)4-22-24(19,20)21/h3,6,8-9,15H,1-2,4H2,(H,13,17,18)(H2,19,20,21)/p-2/t6-,8+,9+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+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 as Ki at 6.8 pH 30 degrees centigrade temp				J Med Chem 26: 1028-36 (1983) BindingDB Entry DOI: 10.7270/Q2VD6XG7
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