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BDBM50318599 6-Bromo-2-(4-methoxyphenyl)-7-(4-((1-methyl-1H-imidazol-2-yl)methyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine::CHEMBL1084888

SMILES: COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4nccn4C)CC3)c2[nH]1

InChI Key: InChIKey=CLFPAGLHVAKYPT-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 = 50318599   
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))
BDBM50318599
PNG
(6-Bromo-2-(4-methoxyphenyl)-7-(4-((1-methyl-1H-imi...)
Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4nccn4C)CC3)c2[nH]1
Show InChI InChI=1S/C22H24BrN7O/c1-28-8-7-24-18(28)14-29-9-11-30(12-10-29)20-17(23)13-25-22-19(20)26-21(27-22)15-3-5-16(31-2)6-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,25,26,27)
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MMDB

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Article
PubMed
n/an/a 32n/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))
BDBM50318599
PNG
(6-Bromo-2-(4-methoxyphenyl)-7-(4-((1-methyl-1H-imi...)
Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4nccn4C)CC3)c2[nH]1
Show InChI InChI=1S/C22H24BrN7O/c1-28-8-7-24-18(28)14-29-9-11-30(12-10-29)20-17(23)13-25-22-19(20)26-21(27-22)15-3-5-16(31-2)6-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,25,26,27)
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 32n/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