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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 = 'BDBM50113685'   
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))
BDBM50113685
PNG
(CHEMBL75809 | N*2*-Benzyl-N*2*-(2-dimethylamino-et...)
Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCN(C)C)Cc2ccccc2)cc1
Show InChI InChI=1S/C27H35N7O/c1-20(2)34-19-29-24-25(28-17-21-11-13-23(35-5)14-12-21)30-27(31-26(24)34)33(16-15-32(3)4)18-22-9-7-6-8-10-22/h6-14,19-20H,15-18H2,1-5H3,(H,28,30,31)
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n/an/a 5.00E+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