BDBM22061 9-cyclopentyl-6-{[(3-methylphenyl)methyl]amino}-9H-purine-2-carbonitrile::Compound 3{7,13}

SMILES: Cc1cccc(CNc2nc(nc3n(cnc23)C2CCCC2)C#N)c1

InChI Key: InChIKey=SYHDEJTZCFKEDF-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 = 22061   

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
Cathepsin B-Like Cysteine Protease (TbcatB) (Trypanosoma brucei)	BDBM22061 (9-cyclopentyl-6-{[(3-methylphenyl)methyl]amino}-9H...) Show SMILES Cc1cccc(CNc2nc(nc3n(cnc23)C2CCCC2)C#N)c1 Show InChI InChI=1S/C19H20N6/c1-13-5-4-6-14(9-13)11-21-18-17-19(24-16(10-20)23-18)25(12-22-17)15-7-2-3-8-15/h4-6,9,12,15H,2-3,7-8,11H2,1H3,(H,21,23,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	5.5	22
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair