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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 = 'BDBM50113719'   
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))
BDBM50113719
PNG
(2-{1-[6-(3,3-Diphenyl-propylamino)-9-isopropyl-9H-...)
Show SMILES CC(C)n1cnc2c(NCCC(c3ccccc3)c3ccccc3)nc(nc12)N1CCCCC1CCO
Show InChI InChI=1S/C30H38N6O/c1-22(2)36-21-32-27-28(33-30(34-29(27)36)35-19-10-9-15-25(35)17-20-37)31-18-16-26(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,21-22,25-26,37H,9-10,15-20H2,1-2H3,(H,31,33,34)
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n/an/a 9.00E+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