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BDBM50318591 6-Bromo-7-[4-(4-chlorobenzyl)-piperazin-1-yl]-2-(4-methoxyphenyl)-3Himidazo[4,5-b]pyridine::CHEMBL1084067

SMILES: COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4ccc(Cl)cc4)CC3)c2[nH]1

InChI Key: InChIKey=HVZNKPWGHREOMW-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 = 50318591   
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))
BDBM50318591
PNG
(6-Bromo-7-[4-(4-chlorobenzyl)-piperazin-1-yl]-2-(4...)
Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4ccc(Cl)cc4)CC3)c2[nH]1
Show InChI InChI=1S/C24H23BrClN5O/c1-32-19-8-4-17(5-9-19)23-28-21-22(20(25)14-27-24(21)29-23)31-12-10-30(11-13-31)15-16-2-6-18(26)7-3-16/h2-9,14H,10-13,15H2,1H3,(H,27,28,29)
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Article
PubMed
n/an/a 40n/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))
BDBM50318591
PNG
(6-Bromo-7-[4-(4-chlorobenzyl)-piperazin-1-yl]-2-(4...)
Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4ccc(Cl)cc4)CC3)c2[nH]1
Show InChI InChI=1S/C24H23BrClN5O/c1-32-19-8-4-17(5-9-19)23-28-21-22(20(25)14-27-24(21)29-23)31-12-10-30(11-13-31)15-16-2-6-18(26)7-3-16/h2-9,14H,10-13,15H2,1H3,(H,27,28,29)
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 40n/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