BDBM50435857 CHEMBL2393579

SMILES: COc1ccc2nc(C)cc(Nc3ccc(O)cc3)c2c1

InChI Key: InChIKey=AZEFJXIVYWAMHA-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 = 50435857   

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
Thioredoxin reductase (Mycobacterium tuberculosis)	BDBM50435857 (CHEMBL2393579) Show SMILES COc1ccc2nc(C)cc(Nc3ccc(O)cc3)c2c1 Show InChI InChI=1S/C17H16N2O2/c1-11-9-17(19-12-3-5-13(20)6-4-12)15-10-14(21-2)7-8-16(15)18-11/h3-10,20H,1-2H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis				J Med Chem 56: 4849-59 (2013) Article DOI: 10.1021/jm3015734 BindingDB Entry DOI: 10.7270/Q21C1Z88
					More data for this Ligand-Target Pair