BDBM50354274 CHEMBL1836577

SMILES: CC1=Nc2ccc(cc2C(N1CCN1CCCCC1)c1ccccc1)-c1ccsc1

InChI Key: InChIKey=ZEQUNNMLKORYCR-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 = 50354274   

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
Trypanothione Reductase (TryR) (Trypanosoma brucei brucei)	BDBM50354274 (CHEMBL1836577) Show SMILES CC1=Nc2ccc(cc2C(N1CCN1CCCCC1)c1ccccc1)-c1ccsc1 |t:1| Show InChI InChI=1S/C26H29N3S/c1-20-27-25-11-10-22(23-12-17-30-19-23)18-24(25)26(21-8-4-2-5-9-21)29(20)16-15-28-13-6-3-7-14-28/h2,4-5,8-12,17-19,26H,3,6-7,13-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair