BDBM22080 6-(benzylamino)-9-(oxan-2-ylmethyl)-9H-purine-2-carbonitrile::Compound 3{8,9}

SMILES: N#Cc1nc(NCc2ccccc2)c2ncn(CC3CCCCO3)c2n1

InChI Key: InChIKey=WPDTYPDQZJAERM-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 = 22080   

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 (Trypanosoma brucei)	BDBM22080 (6-(benzylamino)-9-(oxan-2-ylmethyl)-9H-purine-2-ca...) Show SMILES N#Cc1nc(NCc2ccccc2)c2ncn(CC3CCCCO3)c2n1 Show InChI InChI=1S/C19H20N6O/c20-10-16-23-18(21-11-14-6-2-1-3-7-14)17-19(24-16)25(13-22-17)12-15-8-4-5-9-26-15/h1-3,6-7,13,15H,4-5,8-9,11-12H2,(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	1.10E+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