BDBM22102 6-{[(3,4-dichlorophenyl)methyl]amino}-9-(3,3-dimethoxypropyl)-9H-purine-2-carbonitrile::Compound 3{12,7}

SMILES: COC(CCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N)OC

InChI Key: InChIKey=OQXFJGHHNAQMAE-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 22102   

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)	BDBM22102 (6-{[(3,4-dichlorophenyl)methyl]amino}-9-(3,3-dimet...) Show SMILES COC(CCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N)OC Show InChI InChI=1S/C18H18Cl2N6O2/c1-27-15(28-2)5-6-26-10-23-16-17(24-14(8-21)25-18(16)26)22-9-11-3-4-12(19)13(20)7-11/h3-4,7,10,15H,5-6,9H2,1-2H3,(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	3.40E+3	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