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BDBM50318584 4-(6-Bromo-7-(4-(1-(pyridin-4-yl)ethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline::CHEMBL1086581

SMILES: CC(N1CCN(CC1)c1c(Br)cnc2nc([nH]c12)-c1ccc(cc1)N(C)C)c1ccncc1

InChI Key: InChIKey=HIITXBGCPLLMTN-UHFFFAOYSA-N

Data: 2 IC50

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 = 50318584   
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))
BDBM50318584
PNG
(4-(6-Bromo-7-(4-(1-(pyridin-4-yl)ethyl)piperazin-1...)
Show SMILES CC(N1CCN(CC1)c1c(Br)cnc2nc([nH]c12)-c1ccc(cc1)N(C)C)c1ccncc1
Show InChI InChI=1S/C25H28BrN7/c1-17(18-8-10-27-11-9-18)32-12-14-33(15-13-32)23-21(26)16-28-25-22(23)29-24(30-25)19-4-6-20(7-5-19)31(2)3/h4-11,16-17H,12-15H2,1-3H3,(H,28,29,30)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 85n/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))
BDBM50318584
PNG
(4-(6-Bromo-7-(4-(1-(pyridin-4-yl)ethyl)piperazin-1...)
Show SMILES CC(N1CCN(CC1)c1c(Br)cnc2nc([nH]c12)-c1ccc(cc1)N(C)C)c1ccncc1
Show InChI InChI=1S/C25H28BrN7/c1-17(18-8-10-27-11-9-18)32-12-14-33(15-13-32)23-21(26)16-28-25-22(23)29-24(30-25)19-4-6-20(7-5-19)31(2)3/h4-11,16-17H,12-15H2,1-3H3,(H,28,29,30)
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 55n/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