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BDBM50070581 CHEMBL3408830

SMILES: CCCCCCCCn1c2CCN(Cc3ccccc3)Cc2c2cc(ccc12)-c1cccc(C)c1

InChI Key: InChIKey=AUYJQNMLBUAITF-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 = 50070581   
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))
BDBM50070581
PNG
(CHEMBL3408830)
Show SMILES CCCCCCCCn1c2CCN(Cc3ccccc3)Cc2c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C33H40N2/c1-3-4-5-6-7-11-20-35-32-18-17-29(28-16-12-13-26(2)22-28)23-30(32)31-25-34(21-19-33(31)35)24-27-14-9-8-10-15-27/h8-10,12-18,22-23H,3-7,11,19-21,24-25H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.20E+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))
BDBM50070581
PNG
(CHEMBL3408830)
Show SMILES CCCCCCCCn1c2CCN(Cc3ccccc3)Cc2c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C33H40N2/c1-3-4-5-6-7-11-20-35-32-18-17-29(28-16-12-13-26(2)22-28)23-30(32)31-25-34(21-19-33(31)35)24-27-14-9-8-10-15-27/h8-10,12-18,22-23H,3-7,11,19-21,24-25H2,1-2H3
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>1.00E+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