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BDBM50241185 (E)-N-(1-(2-(1H-indol-3-yl)ethylamino)-2-methyl-1-oxopropan-2-yl)-3-(4-hydroxyphenyl)acrylamide::CHEMBL242867::N-(1-(2-(1H-indol-3-yl)ethylamino)-2-methyl-1-oxopropan-2-yl)-3-(4-hydroxyphenyl)acrylamide

SMILES: CC(C)(NC(=O)\C=C\c1ccc(O)cc1)C(=O)NCCc1c[nH]c2ccccc12

InChI Key: InChIKey=TXILOVGTDLDQDB-FMIVXFBMSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50241185   
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 deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50241185
PNG
((E)-N-(1-(2-(1H-indol-3-yl)ethylamino)-2-methyl-1-...)
Show SMILES CC(C)(NC(=O)\C=C\c1ccc(O)cc1)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H25N3O3/c1-23(2,26-21(28)12-9-16-7-10-18(27)11-8-16)22(29)24-14-13-17-15-25-20-6-4-3-5-19(17)20/h3-12,15,25,27H,13-14H2,1-2H3,(H,24,29)(H,26,28)/b12-9+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of SIRT2


Bioorg Med Chem Lett 17: 2448-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.023
BindingDB Entry DOI: 10.7270/Q2CR5V53
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50241185
PNG
((E)-N-(1-(2-(1H-indol-3-yl)ethylamino)-2-methyl-1-...)
Show SMILES CC(C)(NC(=O)\C=C\c1ccc(O)cc1)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H25N3O3/c1-23(2,26-21(28)12-9-16-7-10-18(27)11-8-16)22(29)24-14-13-17-15-25-20-6-4-3-5-19(17)20/h3-12,15,25,27H,13-14H2,1-2H3,(H,24,29)(H,26,28)/b12-9+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged SIRT2 (unknown origin) by Fluor de Lys fluorescence assay


Bioorg Med Chem 16: 8054-62 (2008)


Article DOI: 10.1016/j.bmc.2008.07.059
BindingDB Entry DOI: 10.7270/Q2TB16QS
More data for this
Ligand-Target Pair