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SMILES: CCn1c2nc(SSc3nc4n(CC)c(=O)n(CCc5ccc(OC)cc5)c(=O)c4[nH]3)[nH]c2c(=O)n(CCc2ccc(OC)cc2)c1=O

InChI Key:

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 = 50595089   
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 deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50595089
PNG
(CHEMBL5192524)
Show SMILES CCn1c2nc(SSc3nc4n(CC)c(=O)n(CCc5ccc(OC)cc5)c(=O)c4[nH]3)[nH]c2c(=O)n(CCc2ccc(OC)cc2)c1=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 610n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114363
BindingDB Entry DOI: 10.7270/Q26W9G30
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50595089
PNG
(CHEMBL5192524)
Show SMILES CCn1c2nc(SSc3nc4n(CC)c(=O)n(CCc5ccc(OC)cc5)c(=O)c4[nH]3)[nH]c2c(=O)n(CCc2ccc(OC)cc2)c1=O
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 610n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114363
BindingDB Entry DOI: 10.7270/Q26W9G30
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial


(Homo sapiens (Human))
BDBM50595089
PNG
(CHEMBL5192524)
Show SMILES CCn1c2nc(SSc3nc4n(CC)c(=O)n(CCc5ccc(OC)cc5)c(=O)c4[nH]3)[nH]c2c(=O)n(CCc2ccc(OC)cc2)c1=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114363
BindingDB Entry DOI: 10.7270/Q26W9G30
More data for this
Ligand-Target Pair