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BDBM50392058 CHEMBL2152624

SMILES: NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(Cl)c2)c1

InChI Key: InChIKey=UGUSYOXHGNXPGX-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 = 50392058   
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))
BDBM50392058
PNG
(CHEMBL2152624)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H19ClN2O2/c22-16-6-3-5-15(13-16)11-12-26-18-8-4-7-17(14-18)24-20-10-2-1-9-19(20)21(23)25/h1-10,13-14,24H,11-12H2,(H2,23,25)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50392058
PNG
(CHEMBL2152624)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H19ClN2O2/c22-16-6-3-5-15(13-16)11-12-26-18-8-4-7-17(14-18)24-20-10-2-1-9-19(20)21(23)25/h1-10,13-14,24H,11-12H2,(H2,23,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair