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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 = 'BDBM50186418'   
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))
BDBM50186418
PNG
(CHEMBL210581 | N-(4-(5-amino-1-(2,6-difluorobenzoy...)
Show SMILES COCCOCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C20H20F2N6O6S/c1-33-9-10-34-11-16(29)27-35(31,32)13-7-5-12(6-8-13)24-20-25-19(23)28(26-20)18(30)17-14(21)3-2-4-15(17)22/h2-8H,9-11H2,1H3,(H,27,29)(H3,23,24,25,26)
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PC cid
PC sid
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Article
PubMed
n/an/a 1.66E+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