Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Flavin-dependent thymidylate synthase' and Ligand = 'BDBM50351766'   

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)	BDBM50351766 (CHEMBL1823502) Show SMILES CCCC(=O)NCC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C16H22N3O9P/c1-2-4-13(21)17-6-3-5-10-8-19(16(23)18-15(10)22)14-7-11(20)12(28-14)9-27-29(24,25)26/h8,11-12,14,20H,2,4,6-7,9H2,1H3,(H,17,21)(H,18,22,23)(H2,24,25,26)/p-2/t11-,12+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.62E+4	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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