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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 = 'BDBM50113712'   
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))
BDBM50113712
PNG
(2-{1-[6-(3-Iodo-benzylamino)-9-isopropyl-9H-purin-...)
Show SMILES CC(C)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N1CCCCC1CCO
Show InChI InChI=1S/C22H29IN6O/c1-15(2)29-14-25-19-20(24-13-16-6-5-7-17(23)12-16)26-22(27-21(19)29)28-10-4-3-8-18(28)9-11-30/h5-7,12,14-15,18,30H,3-4,8-11,13H2,1-2H3,(H,24,26,27)
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n/an/a 6.00E+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