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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 = 'BDBM50113708'   
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))
BDBM50113708
PNG
(2-{1-[9-Isopropyl-6-(2-trifluoromethyl-benzylamino...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3C(F)(F)F)nc(nc12)N1CCCCC1CCO
Show InChI InChI=1S/C23H29F3N6O/c1-15(2)32-14-28-19-20(27-13-16-7-3-4-9-18(16)23(24,25)26)29-22(30-21(19)32)31-11-6-5-8-17(31)10-12-33/h3-4,7,9,14-15,17,33H,5-6,8,10-13H2,1-2H3,(H,27,29,30)
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n/an/a 3.00E+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