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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50307515   
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
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307515
PNG
(1-Methyl-8-({1-[(4-methylpiperazin-1-yl)carbonyl]p...)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C22H31N9O2/c1-28-9-11-31(12-10-28)22(33)30-7-5-15(6-8-30)25-21-24-13-14-3-4-16-18(20(23)32)27-29(2)19(16)17(14)26-21/h13,15H,3-12H2,1-2H3,(H2,23,32)(H,24,25,26)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/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))
BDBM50307515
PNG
(1-Methyl-8-({1-[(4-methylpiperazin-1-yl)carbonyl]p...)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C22H31N9O2/c1-28-9-11-31(12-10-28)22(33)30-7-5-15(6-8-30)25-21-24-13-14-3-4-16-18(20(23)32)27-29(2)19(16)17(14)26-21/h13,15H,3-12H2,1-2H3,(H2,23,32)(H,24,25,26)
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MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.71E+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