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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 = 'BDBM50186420'   
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))
BDBM50186420
PNG
(CHEMBL210765 | N-(4-(5-amino-1-(2,6-difluorobenzoy...)
Show SMILES CN1CCN(CCC(=O)NS(=O)(=O)c2ccc(Nc3nc(N)n(n3)C(=O)c3c(F)cccc3F)cc2)CC1
Show InChI InChI=1S/C23H26F2N8O4S/c1-31-11-13-32(14-12-31)10-9-19(34)30-38(36,37)16-7-5-15(6-8-16)27-23-28-22(26)33(29-23)21(35)20-17(24)3-2-4-18(20)25/h2-8H,9-14H2,1H3,(H,30,34)(H3,26,27,28,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.34E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 16: 3639-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.071
BindingDB Entry DOI: 10.7270/Q2CN73H6
More data for this
Ligand-Target Pair