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 = 'BDBM50347262'   

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)	BDBM50347262 (CHEMBL1796112) Show SMILES CC1CCCN(CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3=O)C1 Show InChI InChI=1S/C30H32ClN3O3S/c1-21-7-5-15-33(19-21)16-6-14-32-29(35)23-12-13-28-26(18-23)34(20-22-8-4-9-24(31)17-22)30(36)25-10-2-3-11-27(25)38(28)37/h2-4,8-13,17-18,21H,5-7,14-16,19-20H2,1H3,(H,32,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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
					More data for this Ligand-Target Pair