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BDBM50168832 CHEMBL3805381

SMILES: NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccc4ccccc34)c2)c1

InChI Key: InChIKey=KFORATXHWGAQRS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50168832   
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-1


(Homo sapiens (Human))
BDBM50168832
PNG
(CHEMBL3805381)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccc4ccccc34)c2)c1
Show InChI InChI=1S/C24H19N3O3/c25-23(28)18-12-20(14-26-13-18)30-15-16-5-3-8-19(11-16)27-24(29)22-10-4-7-17-6-1-2-9-21(17)22/h1-14H,15H2,(H2,25,28)(H,27,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.92E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT1 (1 to 747 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate inc...


J Med Chem 59: 2928-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01376
BindingDB Entry DOI: 10.7270/Q2Z89F9W
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50168832
PNG
(CHEMBL3805381)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccc4ccccc34)c2)c1
Show InChI InChI=1S/C24H19N3O3/c25-23(28)18-12-20(14-26-13-18)30-15-16-5-3-8-19(11-16)27-24(29)22-10-4-7-17-6-1-2-9-21(17)22/h1-14H,15H2,(H2,25,28)(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.08E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3 (102 to 399 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate incubated for 2 hrs by fluorescence...


J Med Chem 59: 2928-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01376
BindingDB Entry DOI: 10.7270/Q2Z89F9W
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50168832
PNG
(CHEMBL3805381)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccc4ccccc34)c2)c1
Show InChI InChI=1S/C24H19N3O3/c25-23(28)18-12-20(14-26-13-18)30-15-16-5-3-8-19(11-16)27-24(29)22-10-4-7-17-6-1-2-9-21(17)22/h1-14H,15H2,(H2,25,28)(H,27,29)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 572n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


J Med Chem 59: 2928-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01376
BindingDB Entry DOI: 10.7270/Q2Z89F9W
More data for this
Ligand-Target Pair