Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'O-acetylserine sulfhydrylase' and Ligand = 'BDBM50439149'   

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
O-acetylserine sulfhydrylase (Mycobacterium tuberculosis)	BDBM50439149 (CHEMBL2418548) Show SMILES OC(=O)c1cccc(c1)\N=C1/S\C(=C/c2ccc(O)cc2)C(=O)N1CC=C Show InChI InChI=1S/C20H16N2O4S/c1-2-10-22-18(24)17(11-13-6-8-16(23)9-7-13)27-20(22)21-15-5-3-4-14(12-15)19(25)26/h2-9,11-12,23H,1,10H2,(H,25,26)/b17-11-,21-20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis N-terminal His-6-tagged recombinant CysK1 expressed in Escherichia coli BL21 (DE3) after 20 mins by spectrop...				J Med Chem 56: 6457-66 (2013) Article DOI: 10.1021/jm400710k BindingDB Entry DOI: 10.7270/Q2GB25GH
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