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BDBM22071 6-[(2-phenylethyl)amino]-9-(pyridin-3-ylmethyl)-9H-purine-2-carbonitrile::Compound 3{13,10}

SMILES: N#Cc1nc(NCCc2ccccc2)c2ncn(Cc3cccnc3)c2n1

InChI Key: InChIKey=DQRYWCIRYCHUDT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 22071   
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)
BDBM22071
PNG
(6-[(2-phenylethyl)amino]-9-(pyridin-3-ylmethyl)-9H...)
Show SMILES N#Cc1nc(NCCc2ccccc2)c2ncn(Cc3cccnc3)c2n1
Show InChI InChI=1S/C20H17N7/c21-11-17-25-19(23-10-8-15-5-2-1-3-6-15)18-20(26-17)27(14-24-18)13-16-7-4-9-22-12-16/h1-7,9,12,14H,8,10,13H2,(H,23,25,26)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/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