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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 = 'BDBM50186421'   
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))
BDBM50186421
PNG
(CHEMBL378420 | N-(4-(5-amino-1-(2,6-difluorobenzoy...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC(=O)CCN2CCOCC2)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C22H23F2N7O5S/c23-16-2-1-3-17(24)19(16)20(33)31-21(25)27-22(28-31)26-14-4-6-15(7-5-14)37(34,35)29-18(32)8-9-30-10-12-36-13-11-30/h1-7H,8-13H2,(H,29,32)(H3,25,26,27,28)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.55E+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