BindingDB logo
myBDB logout

BDBM50326205 CHEMBL1243167::N-(2-Methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-2-(phenylamino)benzamide

SMILES: CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)c(C)c1

InChI Key: InChIKey=VHJIZZORCPKCDP-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50326205   
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))
BDBM50326205
PNG
(CHEMBL1243167 | N-(2-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)c(C)c1
Show InChI InChI=1S/C30H26N6O2/c1-20-19-22(38-29-24(12-8-17-32-29)27-16-18-33-30(31-2)36-27)14-15-25(20)35-28(37)23-11-6-7-13-26(23)34-21-9-4-3-5-10-21/h3-19,34H,1-2H3,(H,35,37)(H,31,33,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.45E+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))
BDBM50326205
PNG
(CHEMBL1243167 | N-(2-Methyl-4-(3-(2-(methylamino)p...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)c(C)c1
Show InChI InChI=1S/C30H26N6O2/c1-20-19-22(38-29-24(12-8-17-32-29)27-16-18-33-30(31-2)36-27)14-15-25(20)35-28(37)23-11-6-7-13-26(23)34-21-9-4-3-5-10-21/h3-19,34H,1-2H3,(H,35,37)(H,31,33,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/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