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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 239.2
BDBM50056160
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056160
PNG
(Benzyl-(9-methyl-9H-purin-6-yl)-amine | CHEMBL1310...)
Show SMILES Cn1cnc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C13H13N5/c1-18-9-17-11-12(15-8-16-13(11)18)14-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,15,16)
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Similars

Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair