Marvin 2D Structure

Wt: 312.3 BDBM50390439Purchase

Wt: 411.4 BDBM50390440

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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
Intracellular chorismate mutase (Mycobacterium tuberculosis)	BDBM50390439 (CHEMBL2071368) Show SMILES COc1cccc(c1)-n1cnc2sc3CCCCc3c2c1=O Show InChI InChI=1S/C17H16N2O2S/c1-21-12-6-4-5-11(9-12)19-10-18-16-15(17(19)20)13-7-2-3-8-14(13)22-16/h4-6,9-10H,2-3,7-8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+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
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