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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 = 'BDBM6278'   
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))
BDBM6278
PNG
(8-Cyclohexyl-2-[4-(4-methylpiperazin-1-yl)phenylam...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCCC4)c3n2)cc1
Show InChI InChI=1S/C24H30N6O/c1-28-13-15-29(16-14-28)20-10-8-19(9-11-20)26-24-25-17-18-7-12-22(31)30(23(18)27-24)21-5-3-2-4-6-21/h7-12,17,21H,2-6,13-16H2,1H3,(H,25,26,27)
PDB
MMDB

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PC cid
PC sid
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Patents


Similars

Article
PubMed
n/an/a 79n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 43: 4606-16 (2000)


Article DOI: 10.1021/jm000271k
BindingDB Entry DOI: 10.7270/Q25B00N4
More data for this
Ligand-Target Pair