Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase' and Ligand = 'BDBM50347263'   

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
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase (Mycobacterium tuberculosis)	BDBM50347263 (CHEMBL1796113) Show SMILES Clc1cccc(CN2c3cc(ccc3S(=O)c3ccccc3C2=O)C(=O)NCCN2CCCCCC2)c1 Show InChI InChI=1S/C29H30ClN3O3S/c30-23-9-7-8-21(18-23)20-33-25-19-22(28(34)31-14-17-32-15-5-1-2-6-16-32)12-13-27(25)37(36)26-11-4-3-10-24(26)29(33)35/h3-4,7-13,18-19H,1-2,5-6,14-17,20H2,(H,31,34)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay				Bioorg Med Chem 19: 3956-64 (2011) Article DOI: 10.1016/j.bmc.2011.05.028 BindingDB Entry DOI: 10.7270/Q2MS3T40
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