BDBM22057 9-cyclopentyl-6-{[(1R)-1-phenylethyl]amino}-9H-purine-2-carbonitrile::Compound 3{4,13}

SMILES: C[C@@H](Nc1nc(nc2n(cnc12)C1CCCC1)C#N)c1ccccc1

InChI Key: InChIKey=IUCQWDIIMRIVIR-CYBMUJFWSA-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 = 22057   

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)	BDBM22057 (9-cyclopentyl-6-{[(1R)-1-phenylethyl]amino}-9H-pur...) Show SMILES C[C@@H](Nc1nc(nc2n(cnc12)C1CCCC1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C19H20N6/c1-13(14-7-3-2-4-8-14)22-18-17-19(24-16(11-20)23-18)25(12-21-17)15-9-5-6-10-15/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3,(H,22,23,24)/t13-/m1/s1	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