BDBM50354318 CHEMBL1836372

SMILES: CC1=Nc2ccc(Cl)cc2C(N1Cc1ccc(C)cc1)c1ccccc1

InChI Key: InChIKey=CDEORBLGVMIYOR-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 = 50354318   

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)	BDBM50354318 (CHEMBL1836372) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1Cc1ccc(C)cc1)c1ccccc1 |t:1| Show InChI InChI=1S/C23H21ClN2/c1-16-8-10-18(11-9-16)15-26-17(2)25-22-13-12-20(24)14-21(22)23(26)19-6-4-3-5-7-19/h3-14,23H,15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+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