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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50177986   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50177986
PNG
((S)-sirtinol | CHEMBL197282)
Show SMILES C[C@H](NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+/t18-/m0/s1
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Article
PubMed
n/an/a 3.94E+4n/an/an/an/an/an/a



Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory activity against human SIRT2


J Med Chem 48: 7789-95 (2005)


Article DOI: 10.1021/jm050100l
BindingDB Entry DOI: 10.7270/Q26M36DP
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50177986
PNG
((S)-sirtinol | CHEMBL197282)
Show SMILES C[C@H](NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+/t18-/m0/s1
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Article
PubMed
n/an/a 6.60E+4n/an/an/an/an/an/a



Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant yeast Sir2


J Med Chem 48: 7789-95 (2005)


Article DOI: 10.1021/jm050100l
BindingDB Entry DOI: 10.7270/Q26M36DP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50177986
PNG
((S)-sirtinol | CHEMBL197282)
Show SMILES C[C@H](NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+/t18-/m0/s1
PDB

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KEGG

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antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 6.70E+4n/an/an/an/an/an/a



Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory activity against human SIRT1


J Med Chem 48: 7789-95 (2005)


Article DOI: 10.1021/jm050100l
BindingDB Entry DOI: 10.7270/Q26M36DP
More data for this
Ligand-Target Pair