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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 = 'BDBM50113718'   
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))
BDBM50113718
PNG
(CHEMBL80402 | N*2*-Benzyl-N*6*-(3-chloro-phenyl)-N...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCN(C)C)Cc1ccccc1
Show InChI InChI=1S/C25H30ClN7/c1-18(2)33-17-27-22-23(28-21-12-8-11-20(26)15-21)29-25(30-24(22)33)32(14-13-31(3)4)16-19-9-6-5-7-10-19/h5-12,15,17-18H,13-14,16H2,1-4H3,(H,28,29,30)
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n/an/a 7.00E+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