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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 = 'BDBM50245410'   
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))
BDBM50245410
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N,N-...)
Show SMILES CCN(CC)C(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C22H24ClN5O2/c1-3-28(4-2)22(29)19-20(24)25-14-26-21(19)27-16-10-11-18(17(23)12-16)30-13-15-8-6-5-7-9-15/h5-12,14H,3-4,13H2,1-2H3,(H3,24,25,26,27)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
BindingDB Entry DOI: 10.7270/Q2NS0TPB
More data for this
Ligand-Target Pair