BDBM22072 9-butyl-6-[(2-phenylethyl)amino]-9H-purine-2-carbonitrile::Compound 3{13,12}

SMILES: CCCCn1cnc2c(NCCc3ccccc3)nc(nc12)C#N

InChI Key: InChIKey=ZEBCPVCHEGBUSK-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 22072   

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)	BDBM22072 (9-butyl-6-[(2-phenylethyl)amino]-9H-purine-2-carbo...) Show SMILES CCCCn1cnc2c(NCCc3ccccc3)nc(nc12)C#N Show InChI InChI=1S/C18H20N6/c1-2-3-11-24-13-21-16-17(22-15(12-19)23-18(16)24)20-10-9-14-7-5-4-6-8-14/h4-8,13H,2-3,9-11H2,1H3,(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	1.60E+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