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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50307552   
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))
BDBM50307552
PNG
(1-Methyl-8-[(pyridin-3-ylmethyl)amino]-4,5-dihydro...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NCc4cccnc4)nc3-c12
Show InChI InChI=1S/C17H17N7O/c1-24-15-12(14(23-24)16(18)25)5-4-11-9-21-17(22-13(11)15)20-8-10-3-2-6-19-7-10/h2-3,6-7,9H,4-5,8H2,1H3,(H2,18,25)(H,20,21,22)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 21n/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))
BDBM50307552
PNG
(1-Methyl-8-[(pyridin-3-ylmethyl)amino]-4,5-dihydro...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NCc4cccnc4)nc3-c12
Show InChI InChI=1S/C17H17N7O/c1-24-15-12(14(23-24)16(18)25)5-4-11-9-21-17(22-13(11)15)20-8-10-3-2-6-19-7-10/h2-3,6-7,9H,4-5,8H2,1H3,(H2,18,25)(H,20,21,22)
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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

Similars

Article
PubMed
n/an/a 2.31E+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