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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-Dependent Kinase 1 (CDK1)' and Ligand = 'BDBM6434'   
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 (CDK1)


(Homo sapiens (Human))
BDBM6434
PNG
(3-[(4-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cnccc1-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-13-3-1-4-14(9-13)23-18-12-21-11-17(24-18)15-5-7-20-10-16(15)22-6-2-8-25/h1,3-5,7,9-12,22,25H,2,6,8H2,(H,23,24)
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MMDB

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Patents

Article
PubMed
n/an/a 2.22E+3n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
More data for this
Ligand-Target Pair