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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50318093   
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-A1/Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50318093
PNG
(8-[(3-Methoxyphenyl)amino]-1-methyl-4,5-dihydro-1H...)
Show SMILES COc1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C18H18N6O2/c1-24-16-13(15(23-24)17(19)25)7-6-10-9-20-18(22-14(10)16)21-11-4-3-5-12(8-11)26-2/h3-5,8-9H,6-7H2,1-2H3,(H2,19,25)(H,20,21,22)
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PubMed
n/an/a 5n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


J Med Chem 53: 3532-51 (2010)


Article DOI: 10.1021/jm901713n
BindingDB Entry DOI: 10.7270/Q2RF5V5D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50318093
PNG
(8-[(3-Methoxyphenyl)amino]-1-methyl-4,5-dihydro-1H...)
Show SMILES COc1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C18H18N6O2/c1-24-16-13(15(23-24)17(19)25)7-6-10-9-20-18(22-14(10)16)21-11-4-3-5-12(8-11)26-2/h3-5,8-9H,6-7H2,1-2H3,(H2,19,25)(H,20,21,22)
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Article
PubMed
n/an/a 135n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PLK1 expressed in H5 insect cells assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


J Med Chem 53: 3532-51 (2010)


Article DOI: 10.1021/jm901713n
BindingDB Entry DOI: 10.7270/Q2RF5V5D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50318093
PNG
(8-[(3-Methoxyphenyl)amino]-1-methyl-4,5-dihydro-1H...)
Show SMILES COc1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C18H18N6O2/c1-24-16-13(15(23-24)17(19)25)7-6-10-9-20-18(22-14(10)16)21-11-4-3-5-12(8-11)26-2/h3-5,8-9H,6-7H2,1-2H3,(H2,19,25)(H,20,21,22)
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Article
PubMed
n/an/a 158n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


J Med Chem 53: 3532-51 (2010)


Article DOI: 10.1021/jm901713n
BindingDB Entry DOI: 10.7270/Q2RF5V5D
More data for this
Ligand-Target Pair