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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50318585   
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
Aurora kinase A


(Homo sapiens (Human))
BDBM50318585
PNG
(4-(6-chloro-7-(4-(1-phenylethyl)piperazin-1-yl)-3H...)
Show SMILES CC(N1CCN(CC1)c1c(Cl)cnc2nc([nH]c12)-c1ccc(cc1)N(C)C)c1ccccc1
Show InChI InChI=1S/C26H29ClN6/c1-18(19-7-5-4-6-8-19)32-13-15-33(16-14-32)24-22(27)17-28-26-23(24)29-25(30-26)20-9-11-21(12-10-20)31(2)3/h4-12,17-18H,13-16H2,1-3H3,(H,28,29,30)
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Article
PubMed
n/an/a 79n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A expressed in baculovirus system


J Med Chem 53: 5213-28 (2010)


Article DOI: 10.1021/jm100262j
BindingDB Entry DOI: 10.7270/Q2GB251P
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50318585
PNG
(4-(6-chloro-7-(4-(1-phenylethyl)piperazin-1-yl)-3H...)
Show SMILES CC(N1CCN(CC1)c1c(Cl)cnc2nc([nH]c12)-c1ccc(cc1)N(C)C)c1ccccc1
Show InChI InChI=1S/C26H29ClN6/c1-18(19-7-5-4-6-8-19)32-13-15-33(16-14-32)24-22(27)17-28-26-23(24)29-25(30-26)20-9-11-21(12-10-20)31(2)3/h4-12,17-18H,13-16H2,1-3H3,(H,28,29,30)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 79n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Eur J Med Chem 46: 77-94 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N
More data for this
Ligand-Target Pair