BDBM22098 6-{[(3,4-dichlorophenyl)methyl]amino}-9-(2,3-dihydroxypropyl)-9H-purine-2-carbonitrile::Compound 3{12,5}

SMILES: OCC(O)Cn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N

InChI Key: InChIKey=GYSGSKCYLYNDPC-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 = 22098   

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)	BDBM22098 (6-{[(3,4-dichlorophenyl)methyl]amino}-9-(2,3-dihyd...) Show SMILES OCC(O)Cn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N Show InChI InChI=1S/C16H14Cl2N6O2/c17-11-2-1-9(3-12(11)18)5-20-15-14-16(23-13(4-19)22-15)24(8-21-14)6-10(26)7-25/h1-3,8,10,25-26H,5-7H2,(H,20,22,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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