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BDBM22076 9-(3-hydroxypropyl)-6-{[(4-methylphenyl)methyl]amino}-9H-purine-2-carbonitrile::Compound 3{6,2}

SMILES: Cc1ccc(CNc2nc(nc3n(CCCO)cnc23)C#N)cc1

InChI Key: InChIKey=DBHAVZJJDUOEBA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 22076   
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)
BDBM22076
PNG
(9-(3-hydroxypropyl)-6-{[(4-methylphenyl)methyl]ami...)
Show SMILES Cc1ccc(CNc2nc(nc3n(CCCO)cnc23)C#N)cc1
Show InChI InChI=1S/C17H18N6O/c1-12-3-5-13(6-4-12)10-19-16-15-17(22-14(9-18)21-16)23(11-20-15)7-2-8-24/h3-6,11,24H,2,7-8,10H2,1H3,(H,19,21,22)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20E+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