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SMILES: NC(=O)c1cncc(Nc2cccc3ccccc23)c1

InChI Key: InChIKey=CCBBNNPSDVJJJI-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 3 hits for monomerid = 50030110   
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
NAD-dependent protein deacetylase sirtuin-3, mitochondrial


(Homo sapiens (Human))
BDBM50030110
PNG
(CHEMBL3343528)
Show SMILES NC(=O)c1cncc(Nc2cccc3ccccc23)c1
Show InChI InChI=1S/C16H13N3O/c17-16(20)12-8-13(10-18-9-12)19-15-7-3-5-11-4-1-2-6-14(11)15/h1-10,19H,(H2,17,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50030110
PNG
(CHEMBL3343528)
Show SMILES NC(=O)c1cncc(Nc2cccc3ccccc23)c1
Show InChI InChI=1S/C16H13N3O/c17-16(20)12-8-13(10-18-9-12)19-15-7-3-5-11-4-1-2-6-14(11)15/h1-10,19H,(H2,17,20)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.09E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50030110
PNG
(CHEMBL3343528)
Show SMILES NC(=O)c1cncc(Nc2cccc3ccccc23)c1
Show InChI InChI=1S/C16H13N3O/c17-16(20)12-8-13(10-18-9-12)19-15-7-3-5-11-4-1-2-6-14(11)15/h1-10,19H,(H2,17,20)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.70E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair