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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50307531   
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))
BDBM50307531
PNG
(8-(Cyclopentylamino)-N-methyl-1-(1-methylpiperidin...)
Show SMILES CNC(=O)c1nn(C2CCN(C)CC2)c-2c1CCc1cnc(NC3CCCC3)nc-21
Show InChI InChI=1S/C22H31N7O/c1-23-21(30)19-17-8-7-14-13-24-22(25-15-5-3-4-6-15)26-18(14)20(17)29(27-19)16-9-11-28(2)12-10-16/h13,15-16H,3-12H2,1-2H3,(H,23,30)(H,24,25,26)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 59n/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))
BDBM50307531
PNG
(8-(Cyclopentylamino)-N-methyl-1-(1-methylpiperidin...)
Show SMILES CNC(=O)c1nn(C2CCN(C)CC2)c-2c1CCc1cnc(NC3CCCC3)nc-21
Show InChI InChI=1S/C22H31N7O/c1-23-21(30)19-17-8-7-14-13-24-22(25-15-5-3-4-6-15)26-18(14)20(17)29(27-19)16-9-11-28(2)12-10-16/h13,15-16H,3-12H2,1-2H3,(H,23,30)(H,24,25,26)
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AffyNet 
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/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