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 = 'BDBM50347268'   

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)	BDBM50347268 (CHEMBL1796118) Show SMILES CN(CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2=O)C1CCCCC1 Show InChI InChI=1S/C31H35N3O3S/c1-33(25-13-6-3-7-14-25)20-10-19-32-30(35)24-17-18-29-27(21-24)34(22-23-11-4-2-5-12-23)31(36)26-15-8-9-16-28(26)38(29)37/h2,4-5,8-9,11-12,15-18,21,25H,3,6-7,10,13-14,19-20,22H2,1H3,(H,32,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+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
					More data for this Ligand-Target Pair