BDBM22093 6-{[(4-bromophenyl)methyl]amino}-9-(3-phenylpropyl)-9H-purine-2-carbonitrile::Compound 3{11,19}

SMILES: Brc1ccc(CNc2nc(nc3n(CCCc4ccccc4)cnc23)C#N)cc1

InChI Key: InChIKey=VZFKQGQRHAXYCZ-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 = 22093   

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)	BDBM22093 (6-{[(4-bromophenyl)methyl]amino}-9-(3-phenylpropyl...) Show SMILES Brc1ccc(CNc2nc(nc3n(CCCc4ccccc4)cnc23)C#N)cc1 Show InChI InChI=1S/C22H19BrN6/c23-18-10-8-17(9-11-18)14-25-21-20-22(28-19(13-24)27-21)29(15-26-20)12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,15H,4,7,12,14H2,(H,25,27,28)	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	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