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BDBM22046 9-cyclopentyl-6-{[(2S)-2-methylbutyl]amino}-9H-purine-2-carbonitrile::Compound 3{1,13}

SMILES: CC[C@H](C)CNc1nc(nc2n(cnc12)C1CCCC1)C#N

InChI Key: InChIKey=ZTSOFSLXLDHJPG-NSHDSACASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 22046   
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)
BDBM22046
PNG
(9-cyclopentyl-6-{[(2S)-2-methylbutyl]amino}-9H-pur...)
Show SMILES CC[C@H](C)CNc1nc(nc2n(cnc12)C1CCCC1)C#N
Show InChI InChI=1S/C16H22N6/c1-3-11(2)9-18-15-14-16(21-13(8-17)20-15)22(10-19-14)12-6-4-5-7-12/h10-12H,3-7,9H2,1-2H3,(H,18,20,21)/t11-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+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