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BDBM22086 6-{[(4-chlorophenyl)methyl]amino}-9-(pyridin-3-ylmethyl)-9H-purine-2-carbonitrile::Compound 3{10,10}

SMILES: Clc1ccc(CNc2nc(nc3n(Cc4cccnc4)cnc23)C#N)cc1

InChI Key: InChIKey=SZXMCUMCONYTJU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 22086   
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)
BDBM22086
PNG
(6-{[(4-chlorophenyl)methyl]amino}-9-(pyridin-3-ylm...)
Show SMILES Clc1ccc(CNc2nc(nc3n(Cc4cccnc4)cnc23)C#N)cc1
Show InChI InChI=1S/C19H14ClN7/c20-15-5-3-13(4-6-15)10-23-18-17-19(26-16(8-21)25-18)27(12-24-17)11-14-2-1-7-22-9-14/h1-7,9,12H,10-11H2,(H,23,25,26)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/a25



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