BDBM22050 9-cyclohexyl-6-(cyclohexylamino)-9H-purine-2-carbonitrile::Compound 3{2,14}

SMILES: N#Cc1nc(NC2CCCCC2)c2ncn(C3CCCCC3)c2n1

InChI Key: InChIKey=ROMRXCCECCWMGR-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 = 22050   

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)	BDBM22050 (9-cyclohexyl-6-(cyclohexylamino)-9H-purine-2-carbo...) Show SMILES N#Cc1nc(NC2CCCCC2)c2ncn(C3CCCCC3)c2n1 Show InChI InChI=1S/C18H24N6/c19-11-15-22-17(21-13-7-3-1-4-8-13)16-18(23-15)24(12-20-16)14-9-5-2-6-10-14/h12-14H,1-10H2,(H,21,22,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	5.5	22
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