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BDBM50318593 6-Bromo-7-(4-cyclopropylmethyl-piperazin-1-yl)-2-(4-methoxyphenyl)-3Himidazo[4,5-b]pyridine::CHEMBL1083773

SMILES: COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC4CC4)CC3)c2[nH]1

InChI Key: InChIKey=SJSGETNZEOIGHE-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50318593   
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))
BDBM50318593
PNG
(6-Bromo-7-(4-cyclopropylmethyl-piperazin-1-yl)-2-(...)
Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC4CC4)CC3)c2[nH]1
Show InChI InChI=1S/C21H24BrN5O/c1-28-16-6-4-15(5-7-16)20-24-18-19(17(22)12-23-21(18)25-20)27-10-8-26(9-11-27)13-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H,23,24,25)
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PC cid
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Article
PubMed
n/an/a 650n/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))
BDBM50318593
PNG
(6-Bromo-7-(4-cyclopropylmethyl-piperazin-1-yl)-2-(...)
Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC4CC4)CC3)c2[nH]1
Show InChI InChI=1S/C21H24BrN5O/c1-28-16-6-4-15(5-7-16)20-24-18-19(17(22)12-23-21(18)25-20)27-10-8-26(9-11-27)13-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H,23,24,25)
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 650n/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