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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50307547   
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))
BDBM50307547
PNG
(8-[(4-Methoxybenzyl)amino]-1-methyl-4,5-dihydro-1H...)
Show SMILES COc1ccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
Show InChI InChI=1S/C19H20N6O2/c1-25-17-14(16(24-25)18(20)26)8-5-12-10-22-19(23-15(12)17)21-9-11-3-6-13(27-2)7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,20,26)(H,21,22,23)
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Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50307547
PNG
(8-[(4-Methoxybenzyl)amino]-1-methyl-4,5-dihydro-1H...)
Show SMILES COc1ccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
Show InChI InChI=1S/C19H20N6O2/c1-25-17-14(16(24-25)18(20)26)8-5-12-10-22-19(23-15(12)17)21-9-11-3-6-13(27-2)7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,20,26)(H,21,22,23)
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GoogleScholar
AffyNet 
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PC sid
UniChem

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Article
PubMed
n/an/a 1.45E+3n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9
More data for this
Ligand-Target Pair