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BDBM50318589 6-Bromo-2-(4-methoxyphenyl)-7-(4-(pyrimidin-5-ylmethyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridine::CHEMBL1084859

SMILES: COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cncnc4)CC3)c2[nH]1

InChI Key: InChIKey=HOYPBPPHZUIAPR-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 = 50318589   
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))
BDBM50318589
PNG
(6-Bromo-2-(4-methoxyphenyl)-7-(4-(pyrimidin-5-ylme...)
Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cncnc4)CC3)c2[nH]1
Show InChI InChI=1S/C22H22BrN7O/c1-31-17-4-2-16(3-5-17)21-27-19-20(18(23)12-26-22(19)28-21)30-8-6-29(7-9-30)13-15-10-24-14-25-11-15/h2-5,10-12,14H,6-9,13H2,1H3,(H,26,27,28)
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MMDB

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Article
PubMed
n/an/a 8n/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))
BDBM50318589
PNG
(6-Bromo-2-(4-methoxyphenyl)-7-(4-(pyrimidin-5-ylme...)
Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cncnc4)CC3)c2[nH]1
Show InChI InChI=1S/C22H22BrN7O/c1-31-17-4-2-16(3-5-17)21-27-19-20(18(23)12-26-22(19)28-21)30-8-6-29(7-9-30)13-15-10-24-14-25-11-15/h2-5,10-12,14H,6-9,13H2,1H3,(H,26,27,28)
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 8n/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