Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Flavin-dependent thymidylate synthase' and Ligand = 'BDBM50351767'   

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)	BDBM50351767 (CHEMBL1823496) Show SMILES CCCCCCCCCCC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C21H33N2O8P/c1-2-3-4-5-6-7-8-9-10-11-12-16-14-23(21(26)22-20(16)25)19-13-17(24)18(31-19)15-30-32(27,28)29/h14,17-19,24H,2-10,13,15H2,1H3,(H,22,25,26)(H2,27,28,29)/p-2/t17-,18+,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.78E+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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