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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 = 'BDBM50113735'   
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))
BDBM50113735
PNG
(2-[9-Isopropyl-6-(2-methoxy-phenylamino)-9H-purin-...)
Show SMILES COc1ccccc1Nc1nc(NCCO)nc2n(cnc12)C(C)C
Show InChI InChI=1S/C17H22N6O2/c1-11(2)23-10-19-14-15(20-12-6-4-5-7-13(12)25-3)21-17(18-8-9-24)22-16(14)23/h4-7,10-11,24H,8-9H2,1-3H3,(H2,18,20,21,22)
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n/an/a 9.00E+6n/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