BDBM22100 6-{[(3,4-dichlorophenyl)methyl]amino}-9-[3-(methoxymethoxy)propyl]-9H-purine-2-carbonitrile::Compound 3{12,8}

SMILES: COCOCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N

InChI Key: InChIKey=IZXKZDIOOZXGPH-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 = 22100   

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)	BDBM22100 (6-{[(3,4-dichlorophenyl)methyl]amino}-9-[3-(methox...) Show SMILES COCOCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N Show InChI InChI=1S/C18H18Cl2N6O2/c1-27-11-28-6-2-5-26-10-23-16-17(24-15(8-21)25-18(16)26)22-9-12-3-4-13(19)14(20)7-12/h3-4,7,10H,2,5-6,9,11H2,1H3,(H,22,24,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	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