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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50113687'   
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))
BDBM50113687
PNG
(2-{1-[6-(4-Chloro-phenylamino)-9-isopropyl-9H-puri...)
Show SMILES CC(C)n1cnc2c(Nc3ccc(Cl)cc3)nc(nc12)N1CCCCC1CCO
Show InChI InChI=1S/C21H27ClN6O/c1-14(2)28-13-23-18-19(24-16-8-6-15(22)7-9-16)25-21(26-20(18)28)27-11-4-3-5-17(27)10-12-29/h6-9,13-14,17,29H,3-5,10-12H2,1-2H3,(H,24,25,26)
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PubMed
n/an/a 7.90E+5n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1)


J Med Chem 45: 2366-78 (2002)


BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair