BDBM50354261 CHEMBL1836563

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

InChI Key: InChIKey=ISTGOQSKRPIJRK-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 = 50354261   

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)	BDBM50354261 (CHEMBL1836563) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1 |t:1| Show InChI InChI=1S/C26H33ClN4O2/c1-19-28-23-11-10-21(27)18-22(23)24(20-8-6-5-7-9-20)31(19)17-14-29-12-15-30(16-13-29)25(32)33-26(2,3)4/h5-11,18,24H,12-17H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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