BDBM22088 6-{[(4-chlorophenyl)methyl]amino}-9-(4-hydroxybutyl)-9H-purine-2-carbonitrile::Compound 3{10,3}

SMILES: OCCCCn1cnc2c(NCc3ccc(Cl)cc3)nc(nc12)C#N

InChI Key: InChIKey=QWXBQVLCGICJIY-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 = 22088   

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)	BDBM22088 (6-{[(4-chlorophenyl)methyl]amino}-9-(4-hydroxybuty...) Show SMILES OCCCCn1cnc2c(NCc3ccc(Cl)cc3)nc(nc12)C#N Show InChI InChI=1S/C17H17ClN6O/c18-13-5-3-12(4-6-13)10-20-16-15-17(23-14(9-19)22-16)24(11-21-15)7-1-2-8-25/h3-6,11,25H,1-2,7-8,10H2,(H,20,22,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	25
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