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BDBM22051 9-benzyl-6-(cyclohexylamino)-9H-purine-2-carbonitrile::Compound 3{2,17}

SMILES: N#Cc1nc(NC2CCCCC2)c2ncn(Cc3ccccc3)c2n1

InChI Key: InChIKey=MJSSCFDEXZRCPV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 22051   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22051
PNG
(9-benzyl-6-(cyclohexylamino)-9H-purine-2-carbonitr...)
Show SMILES N#Cc1nc(NC2CCCCC2)c2ncn(Cc3ccccc3)c2n1
Show InChI InChI=1S/C19H20N6/c20-11-16-23-18(22-15-9-5-2-6-10-15)17-19(24-16)25(13-21-17)12-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-10,12H2,(H,22,23,24)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/a5.522



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