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 = 'BDBM50347259'   

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)	BDBM50347259 (CHEMBL1796110) Show SMILES Clc1cccc(CN2c3cc(ccc3S(=O)(=O)c3ccccc3C2=O)C(=O)NCCCN2CCOCC2)c1 Show InChI InChI=1S/C28H28ClN3O5S/c29-22-6-3-5-20(17-22)19-32-24-18-21(27(33)30-11-4-12-31-13-15-37-16-14-31)9-10-26(24)38(35,36)25-8-2-1-7-23(25)28(32)34/h1-3,5-10,17-18H,4,11-16,19H2,(H,30,33)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+6	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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