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SMILES: NC(=O)c1ccccc1Oc1ccccc1

InChI Key: InChIKey=CJCOBMTYEDBBSY-UHFFFAOYSA-N

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 5 hits for monomerid = 50392084   
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
Catenin beta-1 [138-686]


(Homo sapiens (Human))
BDBM50392084
PNG
(CHEMBL2152586 | US9284299, PNU-74654)
Show SMILES NC(=O)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C13H11NO2/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H2,14,15)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
US Patent
2.44E+4 -6.29n/an/an/an/an/a7.425



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in white opaque 384-well plates from PerkinElmer (Waltham, Mass.), and the samples were read on a Synergy 2 plate reader (...


US Patent US9284299 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GGC
More data for this
Ligand-Target Pair
Catenin beta-1 [138-686]


(Homo sapiens (Human))
BDBM50392084
PNG
(CHEMBL2152586 | US9284299, PNU-74654)
Show SMILES NC(=O)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C13H11NO2/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H2,14,15)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
US Patent
1.81E+5 -5.10n/an/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in 96-well Microfluor 2 black plates (Waltham, Mass.), and the samples were read by a Synergy 2 plate reader (Biotek, Wino...


US Patent US9284299 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GGC
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392084
PNG
(CHEMBL2152586 | US9284299, PNU-74654)
Show SMILES NC(=O)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C13H11NO2/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H2,14,15)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50392084
PNG
(CHEMBL2152586 | US9284299, PNU-74654)
Show SMILES NC(=O)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C13H11NO2/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H2,14,15)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50392084
PNG
(CHEMBL2152586 | US9284299, PNU-74654)
Show SMILES NC(=O)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C13H11NO2/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H2,14,15)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin) using acetylated lysine as substrate by Fluor de Lys assay


Eur J Med Chem 119: 45-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.063
BindingDB Entry DOI: 10.7270/Q2VH5QTW
More data for this
Ligand-Target Pair