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BDBM50318577 2-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-3H-imidazo[4,5-b]-pyridin-7-yl)piperazin-1-yl)-N-phenylacetamide::CHEMBL1083771

SMILES: CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4ccccc4)CC3)c2[nH]1

InChI Key: InChIKey=ATFCZBWLRVVWDU-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50318577   
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 A


(Homo sapiens (Human))
BDBM50318577
PNG
(2-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-3H-imid...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4ccccc4)CC3)c2[nH]1
Show InChI InChI=1S/C26H28ClN7O/c1-32(2)20-10-8-18(9-11-20)25-30-23-24(21(27)16-28-26(23)31-25)34-14-12-33(13-15-34)17-22(35)29-19-6-4-3-5-7-19/h3-11,16H,12-15,17H2,1-2H3,(H,29,35)(H,28,30,31)
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Article
PubMed
n/an/a 115n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A expressed in baculovirus system


J Med Chem 53: 5213-28 (2010)


Article DOI: 10.1021/jm100262j
BindingDB Entry DOI: 10.7270/Q2GB251P
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50318577
PNG
(2-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-3H-imid...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4ccccc4)CC3)c2[nH]1
Show InChI InChI=1S/C26H28ClN7O/c1-32(2)20-10-8-18(9-11-20)25-30-23-24(21(27)16-28-26(23)31-25)34-14-12-33(13-15-34)17-22(35)29-19-6-4-3-5-7-19/h3-11,16H,12-15,17H2,1-2H3,(H,29,35)(H,28,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 115n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Eur J Med Chem 46: 77-94 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N
More data for this
Ligand-Target Pair