BDBM22101 6-{[(3,4-dichlorophenyl)methyl]amino}-9-(3-methoxypropyl)-9H-purine-2-carbonitrile::Compound 3{12,6}

SMILES: COCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N

InChI Key: InChIKey=ZPWRCRYJTMZRFV-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 = 22101   

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)	BDBM22101 (6-{[(3,4-dichlorophenyl)methyl]amino}-9-(3-methoxy...) Show SMILES COCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N Show InChI InChI=1S/C17H16Cl2N6O/c1-26-6-2-5-25-10-22-15-16(23-14(8-20)24-17(15)25)21-9-11-3-4-12(18)13(19)7-11/h3-4,7,10H,2,5-6,9H2,1H3,(H,21,23,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+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