BDBM50354264 CHEMBL1836566

SMILES: CC1=Nc2ccc(Cl)cc2C(N1CCN1CCN(CC1)C(=O)c1ccccc1)c1ccccc1

InChI Key: InChIKey=YOCHTZPEUSEBET-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 = 50354264   

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)	BDBM50354264 (CHEMBL1836566) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCN(CC1)C(=O)c1ccccc1)c1ccccc1 |t:1| Show InChI InChI=1S/C28H29ClN4O/c1-21-30-26-13-12-24(29)20-25(26)27(22-8-4-2-5-9-22)33(21)19-16-31-14-17-32(18-15-31)28(34)23-10-6-3-7-11-23/h2-13,20,27H,14-19H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	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