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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50304193'   
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 B


(Homo sapiens (Human))
BDBM50304193
PNG
(CHEMBL593221 | N-[4-(Benzo[d]thiazol-2''-yl)-2-hyd...)
Show SMILES COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1
Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-22(18-27(28)39-3)30(33-20-32-25)34-23-10-9-21(17-26(23)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)
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PC cid
PC sid
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Article
PubMed
n/an/a 90n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B by microplate scintillation counting


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50304193
PNG
(CHEMBL593221 | N-[4-(Benzo[d]thiazol-2''-yl)-2-hyd...)
Show SMILES COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1
Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-22(18-27(28)39-3)30(33-20-32-25)34-23-10-9-21(17-26(23)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B in human HCT116 cells by cellular proliferation assay


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair