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BDBM50315843 5-nitro-6-(pyrrolidin-1-yl)-3-styryl-1H-indazole::CHEMBL1091974

SMILES: [O-][N+](=O)c1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1

InChI Key: InChIKey=HBGNZQRVHBIHPS-CMDGGOBGSA-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 = 50315843   
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))
BDBM50315843
PNG
(5-nitro-6-(pyrrolidin-1-yl)-3-styryl-1H-indazole |...)
Show SMILES [O-][N+](=O)c1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1
Show InChI InChI=1S/C19H18N4O2/c24-23(25)19-12-15-16(9-8-14-6-2-1-3-7-14)20-21-17(15)13-18(19)22-10-4-5-11-22/h1-3,6-9,12-13H,4-5,10-11H2,(H,20,21)/b9-8+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/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))
BDBM50315843
PNG
(5-nitro-6-(pyrrolidin-1-yl)-3-styryl-1H-indazole |...)
Show SMILES [O-][N+](=O)c1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1
Show InChI InChI=1S/C19H18N4O2/c24-23(25)19-12-15-16(9-8-14-6-2-1-3-7-14)20-21-17(15)13-18(19)22-10-4-5-11-22/h1-3,6-9,12-13H,4-5,10-11H2,(H,20,21)/b9-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/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