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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 = 'BDBM50113740'   
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))
BDBM50113740
PNG
(2-{Benzyl-[9-isopropyl-6-(4-methoxy-benzylamino)-9...)
Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)Cc2ccccc2)cc1
Show InChI InChI=1S/C25H30N6O2/c1-18(2)31-17-27-22-23(26-15-19-9-11-21(33-3)12-10-19)28-25(29-24(22)31)30(13-14-32)16-20-7-5-4-6-8-20/h4-12,17-18,32H,13-16H2,1-3H3,(H,26,28,29)
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n/an/a 2.80E+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