BDBM50347267 CHEMBL1796117

SMILES: Clc1cccc(CN2c3cc(ccc3S(=O)(=O)c3ccccc3C2=O)C(=O)NCC2CCCN2)c1

InChI Key: InChIKey=VRPINELRRZUBLQ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50347267   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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)	BDBM50347267 (CHEMBL1796117) Show SMILES Clc1cccc(CN2c3cc(ccc3S(=O)(=O)c3ccccc3C2=O)C(=O)NCC2CCCN2)c1 Show InChI InChI=1S/C26H24ClN3O4S/c27-19-6-3-5-17(13-19)16-30-22-14-18(25(31)29-15-20-7-4-12-28-20)10-11-24(22)35(33,34)23-9-2-1-8-21(23)26(30)32/h1-3,5-6,8-11,13-14,20,28H,4,7,12,15-16H2,(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+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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