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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50324265   
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))
BDBM50324265
PNG
((Z)-3-(4-Oxo-2-{[2-oxo-5-(piperidin-1-ylsulfonyl)i...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCCCC2)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C25H27N3O6S/c29-22-6-4-5-20-24(22)16(8-10-23(30)31)21(26-20)14-18-17-13-15(7-9-19(17)27-25(18)32)35(33,34)28-11-2-1-3-12-28/h7,9,13-14,26H,1-6,8,10-12H2,(H,27,32)(H,30,31)
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Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
BindingDB Entry DOI: 10.7270/Q2XS5VKS
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50324265
PNG
((Z)-3-(4-Oxo-2-{[2-oxo-5-(piperidin-1-ylsulfonyl)i...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCCCC2)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C25H27N3O6S/c29-22-6-4-5-20-24(22)16(8-10-23(30)31)21(26-20)14-18-17-13-15(7-9-19(17)27-25(18)32)35(33,34)28-11-2-1-3-12-28/h7,9,13-14,26H,1-6,8,10-12H2,(H,27,32)(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 495n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B


J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
BindingDB Entry DOI: 10.7270/Q2XS5VKS
More data for this
Ligand-Target Pair