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SMILES: NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(c(F)c3)-c3ccccc3)c2)c1

InChI Key: InChIKey=FAXTZZOTGNINDX-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 = 50168934   
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-2


(Homo sapiens (Human))
BDBM50168934
PNG
(CHEMBL3805586)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(c(F)c3)-c3ccccc3)c2)c1
Show InChI InChI=1S/C26H20FN3O3/c27-24-13-19(9-10-23(24)18-6-2-1-3-7-18)26(32)30-21-8-4-5-17(11-21)16-33-22-12-20(25(28)31)14-29-15-22/h1-15H,16H2,(H2,28,31)(H,30,32)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 29n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


J Med Chem 59: 2928-41 (2016)


BindingDB Entry DOI: 10.7270/Q2Z89F9W
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial


(Homo sapiens (Human))
BDBM50168934
PNG
(CHEMBL3805586)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(c(F)c3)-c3ccccc3)c2)c1
Show InChI InChI=1S/C26H20FN3O3/c27-24-13-19(9-10-23(24)18-6-2-1-3-7-18)26(32)30-21-8-4-5-17(11-21)16-33-22-12-20(25(28)31)14-29-15-22/h1-15H,16H2,(H2,28,31)(H,30,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.14E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3 (102 to 399 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate incubated for 2 hrs by fluorescence...


J Med Chem 59: 2928-41 (2016)


BindingDB Entry DOI: 10.7270/Q2Z89F9W
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50168934
PNG
(CHEMBL3805586)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(c(F)c3)-c3ccccc3)c2)c1
Show InChI InChI=1S/C26H20FN3O3/c27-24-13-19(9-10-23(24)18-6-2-1-3-7-18)26(32)30-21-8-4-5-17(11-21)16-33-22-12-20(25(28)31)14-29-15-22/h1-15H,16H2,(H2,28,31)(H,30,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.15E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT1 (1 to 747 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate inc...


J Med Chem 59: 2928-41 (2016)


BindingDB Entry DOI: 10.7270/Q2Z89F9W
More data for this
Ligand-Target Pair