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BDBM50318582 4-(6-Bromo-7-(4-phenylpiperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)-N,Ndimethylaniline::CHEMBL1085135

SMILES: CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC3)c3ccccc3)c2[nH]1

InChI Key: InChIKey=YRFSJKATAFOKCA-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50318582   
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))
BDBM50318582
PNG
(4-(6-Bromo-7-(4-phenylpiperazin-1-yl)-3H-imidazo[4...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC3)c3ccccc3)c2[nH]1
Show InChI InChI=1S/C24H25BrN6/c1-29(2)18-10-8-17(9-11-18)23-27-21-22(20(25)16-26-24(21)28-23)31-14-12-30(13-15-31)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,26,27,28)
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MMDB

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PC cid
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Article
PubMed
n/an/a 258n/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
3D
3D Structure (docked)
Aurora kinase A


(Homo sapiens (Human))
BDBM50318582
PNG
(4-(6-Bromo-7-(4-phenylpiperazin-1-yl)-3H-imidazo[4...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC3)c3ccccc3)c2[nH]1
Show InChI InChI=1S/C24H25BrN6/c1-29(2)18-10-8-17(9-11-18)23-27-21-22(20(25)16-26-24(21)28-23)31-14-12-30(13-15-31)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(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 258n/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
3D
3D Structure (docked)