BDBM50390440 CHEMBL2071373

SMILES: CC(C)(C)OC(=O)N1CCc2c(C1)sc1ncn(-c3cccc(C=O)c3)c(=O)c21

InChI Key: InChIKey=QXKBINIHWUVADL-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 = 50390440   

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
Intracellular chorismate mutase (Mycobacterium tuberculosis)	BDBM50390440 (CHEMBL2071373) Show SMILES CC(C)(C)OC(=O)N1CCc2c(C1)sc1ncn(-c3cccc(C=O)c3)c(=O)c21 Show InChI InChI=1S/C21H21N3O4S/c1-21(2,3)28-20(27)23-8-7-15-16(10-23)29-18-17(15)19(26)24(12-22-18)14-6-4-5-13(9-14)11-25/h4-6,9,11-12H,7-8,10H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hyderabad Campus Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis chorismate mutase using chorismate substrate in dose response study by spectrophotometry				Bioorg Med Chem 20: 5127-38 (2012) Article DOI: 10.1016/j.bmc.2012.07.011 BindingDB Entry DOI: 10.7270/Q21837KB
					More data for this Ligand-Target Pair