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SMILES: O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]/c1cn(-[#6]-c2ccccc2)c2ccccc12

InChI Key: InChIKey=ZLQJDJQLZWACEF-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 = 50400726   
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 deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50400726
PNG
(CHEMBL2203539)
Show SMILES O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]/c1cn(-[#6]-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H15N3O2S/c24-18-16(19(25)22-20(26)21-18)10-14-12-23(11-13-6-2-1-3-7-13)17-9-5-4-8-15(14)17/h1-10,12H,11H2,(H2,21,22,24,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.66E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of SIRT5 using ZK(suc)A substrate after 1 hr by homogeneous fluorescence assay


ACS Med Chem Lett 3: 1050-1053 (2012)


Article DOI: 10.1021/ml3002709
BindingDB Entry DOI: 10.7270/Q29C6ZKP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial


(Homo sapiens (Human))
BDBM50400726
PNG
(CHEMBL2203539)
Show SMILES O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]/c1cn(-[#6]-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H15N3O2S/c24-18-16(19(25)22-20(26)21-18)10-14-12-23(11-13-6-2-1-3-7-13)17-9-5-4-8-15(14)17/h1-10,12H,11H2,(H2,21,22,24,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.16E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT3 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay


ACS Med Chem Lett 3: 1050-1053 (2012)


Article DOI: 10.1021/ml3002709
BindingDB Entry DOI: 10.7270/Q29C6ZKP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50400726
PNG
(CHEMBL2203539)
Show SMILES O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]/c1cn(-[#6]-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H15N3O2S/c24-18-16(19(25)22-20(26)21-18)10-14-12-23(11-13-6-2-1-3-7-13)17-9-5-4-8-15(14)17/h1-10,12H,11H2,(H2,21,22,24,25,26)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.84E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay


ACS Med Chem Lett 3: 1050-1053 (2012)


Article DOI: 10.1021/ml3002709
BindingDB Entry DOI: 10.7270/Q29C6ZKP
More data for this
Ligand-Target Pair