BDBM22089 6-{[(4-chlorophenyl)methyl]amino}-9-[(4-methoxyphenyl)methyl]-9H-purine-2-carbonitrile::Compound 3{10,16}

SMILES: COc1ccc(Cn2cnc3c(NCc4ccc(Cl)cc4)nc(nc23)C#N)cc1

InChI Key: InChIKey=UWOVVXWNOFSGLE-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 = 22089   

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)	BDBM22089 (6-{[(4-chlorophenyl)methyl]amino}-9-[(4-methoxyphe...) Show SMILES COc1ccc(Cn2cnc3c(NCc4ccc(Cl)cc4)nc(nc23)C#N)cc1 Show InChI InChI=1S/C21H17ClN6O/c1-29-17-8-4-15(5-9-17)12-28-13-25-19-20(26-18(10-23)27-21(19)28)24-11-14-2-6-16(22)7-3-14/h2-9,13H,11-12H2,1H3,(H,24,26,27)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+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