BDBM50435852 CHEMBL2393585

SMILES: Nc1c(c(O)cn1-c1ccc(cc1)S(N)(=O)=O)-c1nc(cs1)-c1ccccc1

InChI Key: InChIKey=PVUIWUKJFCYFRB-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 = 50435852   

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)	BDBM50435852 (CHEMBL2393585) Show SMILES Nc1c(c(O)cn1-c1ccc(cc1)S(N)(=O)=O)-c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C19H16N4O3S2/c20-18-17(19-22-15(11-27-19)12-4-2-1-3-5-12)16(24)10-23(18)13-6-8-14(9-7-13)28(21,25)26/h1-11,24H,20H2,(H2,21,25,26)	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	2.00E+5	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