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SMILES: CC(=O)C=C1C(=O)Nc2ccccc12

InChI Key: InChIKey=AQPYUQKKKCLZAT-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50132009   
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
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50132009
PNG
(3-(2-Oxo-propylidene)-1,3-dihydro-indol-2-one | CH...)
Show SMILES CC(=O)C=C1C(=O)Nc2ccccc12 |w:3.2|
Show InChI InChI=1S/C11H9NO2/c1-7(13)6-9-8-4-2-3-5-10(8)12-11(9)14/h2-6H,1H3,(H,12,14)
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Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50132009
PNG
(3-(2-Oxo-propylidene)-1,3-dihydro-indol-2-one | CH...)
Show SMILES CC(=O)C=C1C(=O)Nc2ccccc12 |w:3.2|
Show InChI InChI=1S/C11H9NO2/c1-7(13)6-9-8-4-2-3-5-10(8)12-11(9)14/h2-6H,1H3,(H,12,14)
PDB
MMDB

Reactome pathway
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antibodypedia
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PCBioAssay
n/an/a 1.40E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50132009
PNG
(3-(2-Oxo-propylidene)-1,3-dihydro-indol-2-one | CH...)
Show SMILES CC(=O)C=C1C(=O)Nc2ccccc12 |w:3.2|
Show InChI InChI=1S/C11H9NO2/c1-7(13)6-9-8-4-2-3-5-10(8)12-11(9)14/h2-6H,1H3,(H,12,14)
PDB
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using ZGBC as a substrate after 30 to 60 mins by fluorometric assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
MO15-related protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50132009
PNG
(3-(2-Oxo-propylidene)-1,3-dihydro-indol-2-one | CH...)
Show SMILES CC(=O)C=C1C(=O)Nc2ccccc12 |w:3.2|
Show InChI InChI=1S/C11H9NO2/c1-7(13)6-9-8-4-2-3-5-10(8)12-11(9)14/h2-6H,1H3,(H,12,14)
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>3.70E+4n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinase, Pfmrk


J Med Chem 46: 3877-82 (2003)


Article DOI: 10.1021/jm0300983
BindingDB Entry DOI: 10.7270/Q2028S9W
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM50132009
PNG
(3-(2-Oxo-propylidene)-1,3-dihydro-indol-2-one | CH...)
Show SMILES CC(=O)C=C1C(=O)Nc2ccccc12 |w:3.2|
Show InChI InChI=1S/C11H9NO2/c1-7(13)6-9-8-4-2-3-5-10(8)12-11(9)14/h2-6H,1H3,(H,12,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair