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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-Dependent Kinase 1 (CDK1)' and Ligand = 'BDBM7554'   
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 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7554
PNG
(5-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]p...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCCCO
Show InChI InChI=1S/C20H23N5O/c1-15(2)25-14-22-18-19(21-13-16-9-5-3-6-10-16)23-17(24-20(18)25)11-7-4-8-12-26/h3,5-6,9-10,14-15,26H,4,8,12-13H2,1-2H3,(H,21,23,24)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 200n/an/an/an/a7.230



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem Lett 8: 793-8 (1998)


Article DOI: 10.1021/jm060701s
BindingDB Entry DOI: 10.7270/Q2TQ5ZRN
More data for this
Ligand-Target Pair