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BDBM92831 Bisanilinopyrimidine, 9d::US9249124, 47

SMILES: CS(=O)(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1

InChI Key: InChIKey=ISYIJSJVYFOFPY-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 92831   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM92831
PNG
(Bisanilinopyrimidine, 9d | US9249124, 47)
Show SMILES CS(=O)(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
Show InChI InChI=1S/C17H15ClN4O2S/c1-25(23,24)13-8-6-12(7-9-13)20-17-19-11-10-16(22-17)21-15-5-3-2-4-14(15)18/h2-11H,1H3,(H2,19,20,21,22)
PDB
MMDB

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Article
PubMed
n/an/a 44.9n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
In vitro enzyme activity assay using Aurora Kinase A.


J Med Chem 55: 7392-416 (2012)


Article DOI: 10.1021/jm300334d
BindingDB Entry DOI: 10.7270/Q2V986NH
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM92831
PNG
(Bisanilinopyrimidine, 9d | US9249124, 47)
Show SMILES CS(=O)(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
Show InChI InChI=1S/C17H15ClN4O2S/c1-25(23,24)13-8-6-12(7-9-13)20-17-19-11-10-16(22-17)21-15-5-3-2-4-14(15)18/h2-11H,1H3,(H2,19,20,21,22)
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antibodypedia
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US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



H. Lee Moffitt Cancer Center and Research Institute Inc

US Patent


Assay Description
Specifically, MDA-MB-468 cells (American Type Culture Collection) were maintained in Dulbecco's modified Eagle's medium (DMEM) plus 10% fetus bovine ...


US Patent US9249124 (2016)


BindingDB Entry DOI: 10.7270/Q2J1020R
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM92831
PNG
(Bisanilinopyrimidine, 9d | US9249124, 47)
Show SMILES CS(=O)(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
Show InChI InChI=1S/C17H15ClN4O2S/c1-25(23,24)13-8-6-12(7-9-13)20-17-19-11-10-16(22-17)21-15-5-3-2-4-14(15)18/h2-11H,1H3,(H2,19,20,21,22)
PDB
MMDB

NCI pathway
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US Patent
n/an/a 44.9n/an/an/an/a7.425



H. Lee Moffitt Cancer Center and Research Institute Inc

US Patent


Assay Description
Reactions were carried out at room temperature in 15 mM HEPES buffer (pH 7.4) containing 20 mM NaCl, 1 mM EGTA, 0.02% Tween 20, 10 mM MgCl2, 5% (v/v)...


US Patent US9249124 (2016)


BindingDB Entry DOI: 10.7270/Q2J1020R
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM92831
PNG
(Bisanilinopyrimidine, 9d | US9249124, 47)
Show SMILES CS(=O)(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
Show InChI InChI=1S/C17H15ClN4O2S/c1-25(23,24)13-8-6-12(7-9-13)20-17-19-11-10-16(22-17)21-15-5-3-2-4-14(15)18/h2-11H,1H3,(H2,19,20,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
In vitro enzyme activity assay using Aurora Kinase A.


J Med Chem 55: 7392-416 (2012)


Article DOI: 10.1021/jm300334d
BindingDB Entry DOI: 10.7270/Q2V986NH
More data for this
Ligand-Target Pair