Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Flavin-dependent thymidylate synthase' and Ligand = 'BDBM50351763'   

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
Flavin-dependent thymidylate synthase (Mycobacterium tuberculosis)	BDBM50351763 (CHEMBL1823492) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/p-2/t5-,6+,7+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis ThyX-mediated dTMP synthesis using [5-3H]dUMP as substrate after 10 mins by liquid scintillation counting				J Med Chem 54: 4847-62 (2011) Article DOI: 10.1021/jm2004688 BindingDB Entry DOI: 10.7270/Q24J0FG1
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