BDBM50142685 CHEMBL3758242

SMILES: ClCC(=O)N1c2ccccc2Oc2ccc(Cl)cc12

InChI Key: InChIKey=BJLIPVCCUCPBHM-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 = 50142685   

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)	BDBM50142685 (CHEMBL3758242) Show SMILES ClCC(=O)N1c2ccccc2Oc2ccc(Cl)cc12 Show InChI InChI=1S/C14H9Cl2NO2/c15-8-14(18)17-10-3-1-2-4-12(10)19-13-6-5-9(16)7-11(13)17/h1-7H,8H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Wuerzburg Curated by ChEMBL					Assay Description Time dependent inhibition of recombinant Trypanosoma brucei trypanothione reductase preincubated with protein for 10 to 180 mins followed by NADPH, t...				Eur J Med Chem 108: 436-43 (2016) BindingDB Entry DOI: 10.7270/Q2GH9KTB
					More data for this Ligand-Target Pair