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BDBM50315835 2-(2,5-dimethoxyphenyl)-N-(6-methyl-3-styryl-1H-indazol-5-yl)acetamide::CHEMBL1091617

SMILES: COc1ccc(OC)c(CC(=O)Nc2cc3c(\C=C\c4ccccc4)n[nH]c3cc2C)c1

InChI Key: InChIKey=KAHHZLXTLVPZAC-PKNBQFBNSA-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 = 50315835   
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))
BDBM50315835
PNG
(2-(2,5-dimethoxyphenyl)-N-(6-methyl-3-styryl-1H-in...)
Show SMILES COc1ccc(OC)c(CC(=O)Nc2cc3c(\C=C\c4ccccc4)n[nH]c3cc2C)c1
Show InChI InChI=1S/C26H25N3O3/c1-17-13-24-21(22(28-29-24)11-9-18-7-5-4-6-8-18)16-23(17)27-26(30)15-19-14-20(31-2)10-12-25(19)32-3/h4-14,16H,15H2,1-3H3,(H,27,30)(H,28,29)/b11-9+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence


Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50315835
PNG
(2-(2,5-dimethoxyphenyl)-N-(6-methyl-3-styryl-1H-in...)
Show SMILES COc1ccc(OC)c(CC(=O)Nc2cc3c(\C=C\c4ccccc4)n[nH]c3cc2C)c1
Show InChI InChI=1S/C26H25N3O3/c1-17-13-24-21(22(28-29-24)11-9-18-7-5-4-6-8-18)16-23(17)27-26(30)15-19-14-20(31-2)10-12-25(19)32-3/h4-14,16H,15H2,1-3H3,(H,27,30)(H,28,29)/b11-9+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay


Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair