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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 = 'BDBM50113695'   
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))
BDBM50113695
PNG
(2-{[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin...)
Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(C)CC(O)c2ccccc2)cc1
Show InChI InChI=1S/C25H30N6O2/c1-17(2)31-16-27-22-23(26-14-18-10-12-20(33-4)13-11-18)28-25(29-24(22)31)30(3)15-21(32)19-8-6-5-7-9-19/h5-13,16-17,21,32H,14-15H2,1-4H3,(H,26,28,29)
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n/an/a 1.00E+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