BDBM22075 9-benzyl-6-{[(4-methoxyphenyl)methyl]amino}-9H-purine-2-carbonitrile::Compound 3{5,17}

SMILES: COc1ccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)cc1

InChI Key: InChIKey=OYSZBLDJZXWWEI-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 = 22075   

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)	BDBM22075 (9-benzyl-6-{[(4-methoxyphenyl)methyl]amino}-9H-pur...) Show SMILES COc1ccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)cc1 Show InChI InChI=1S/C21H18N6O/c1-28-17-9-7-15(8-10-17)12-23-20-19-21(26-18(11-22)25-20)27(14-24-19)13-16-5-3-2-4-6-16/h2-10,14H,12-13H2,1H3,(H,23,25,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	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