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BDBM50326203 CHEMBL1243073::N-(3-Methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-3-phenoxybenzamide

SMILES: CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1C

InChI Key: InChIKey=GASPHORHXIOCBB-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50326203   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase B


(Homo sapiens (Human))
BDBM50326203
PNG
(CHEMBL1243073 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1C
Show InChI InChI=1S/C30H25N5O3/c1-20-18-22(34-28(36)21-8-6-11-24(19-21)37-23-9-4-3-5-10-23)13-14-27(20)38-29-25(12-7-16-32-29)26-15-17-33-30(31-2)35-26/h3-19H,1-2H3,(H,34,36)(H,31,33,35)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a>1.20E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50326203
PNG
(CHEMBL1243073 | N-(3-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1C
Show InChI InChI=1S/C30H25N5O3/c1-20-18-22(34-28(36)21-8-6-11-24(19-21)37-23-9-4-3-5-10-23)13-14-27(20)38-29-25(12-7-16-32-29)26-15-17-33-30(31-2)35-26/h3-19H,1-2H3,(H,34,36)(H,31,33,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 251n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair