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BDBM50070589 CHEMBL3408820

SMILES: CCCCCCCCn1c2CCN(C)Cc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=MCHRYLWQZGOCBY-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50070589   
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 deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50070589
PNG
(CHEMBL3408820)
Show SMILES CCCCCCCCn1c2CCN(C)Cc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H36N2O2S/c1-4-5-6-7-8-9-17-29-26-15-12-22(21-10-13-23(14-11-21)32(3,30)31)19-24(26)25-20-28(2)18-16-27(25)29/h10-15,19H,4-9,16-18,20H2,1-3H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...


Eur J Med Chem 92: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.027
BindingDB Entry DOI: 10.7270/Q270834V
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50070589
PNG
(CHEMBL3408820)
Show SMILES CCCCCCCCn1c2CCN(C)Cc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H36N2O2S/c1-4-5-6-7-8-9-17-29-26-15-12-22(21-10-13-23(14-11-21)32(3,30)31)19-24(26)25-20-28(2)18-16-27(25)29/h10-15,19H,4-9,16-18,20H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...


Eur J Med Chem 92: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.027
BindingDB Entry DOI: 10.7270/Q270834V
More data for this
Ligand-Target Pair