BDBM50354332 CHEMBL1836574

SMILES: CC1=Nc2ccc(I)cc2C(N1CCN1CCCCC1)c1ccccc1

InChI Key: InChIKey=SEWMCYCSJBZMEF-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 = 50354332   

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)	BDBM50354332 (CHEMBL1836574) Show SMILES CC1=Nc2ccc(I)cc2C(N1CCN1CCCCC1)c1ccccc1 |t:1| Show InChI InChI=1S/C22H26IN3/c1-17-24-21-11-10-19(23)16-20(21)22(18-8-4-2-5-9-18)26(17)15-14-25-12-6-3-7-13-25/h2,4-5,8-11,16,22H,3,6-7,12-15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	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