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Target
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Compile Data Set for Download or QSAR
Found
4
hits Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacylase sirtuin-6' and Ligand = 'BDBM50540048'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human))
BDBM50540048
(CHEMBL4636092)
Show SMILES
N1C(c2cccn2-c2ccccc12)c1cccnc1
Show InChI
InChI=1S/C16H13N3/c1-2-7-14-13(6-1)18-16(12-5-3-9-17-11-12)15-8-4-10-19(14)15/h1-11,16,18H
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
n/a
n/a
3.80E+4
n/a
n/a
n/a
n/a
Sichuan University
Curated by
ChEMBL
Assay Description
Inhibition of sirtuin 6 (unknown origin)
Eur J Med Chem
161:
48
-
77
(2019)
Article DOI:
10.1016/j.ejmech.2018.10.028
BindingDB Entry DOI:
10.7270/Q2W380VZ
More data for this
Ligand-Target Pair
3D Structure (crystal)
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human))
BDBM50540048
(CHEMBL4636092)
Show SMILES
N1C(c2cccn2-c2ccccc12)c1cccnc1
Show InChI
InChI=1S/C16H13N3/c1-2-7-14-13(6-1)18-16(12-5-3-9-17-11-12)15-8-4-10-19(14)15/h1-11,16,18H
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
n/a
n/a
n/a
n/a
3.80E+4
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human recombinant FAAH
Citation and Details
More data for this
Ligand-Target Pair
3D Structure (crystal)
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human))
BDBM50540048
(CHEMBL4636092)
Show SMILES
N1C(c2cccn2-c2ccccc12)c1cccnc1
Show InChI
InChI=1S/C16H13N3/c1-2-7-14-13(6-1)18-16(12-5-3-9-17-11-12)15-8-4-10-19(14)15/h1-11,16,18H
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
n/a
n/a
3.80E+4
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01291
BindingDB Entry DOI:
10.7270/Q24J0K63
More data for this
Ligand-Target Pair
3D Structure (crystal)
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human))
BDBM50540048
(CHEMBL4636092)
Show SMILES
N1C(c2cccn2-c2ccccc12)c1cccnc1
Show InChI
InChI=1S/C16H13N3/c1-2-7-14-13(6-1)18-16(12-5-3-9-17-11-12)15-8-4-10-19(14)15/h1-11,16,18H
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
n/a
n/a
3.80E+4
n/a
n/a
n/a
n/a
Sichuan University
Curated by
ChEMBL
Assay Description
Activation of SIRT6 (unknown origin)
J Med Chem
63:
10474
-
10495
(2020)
Article DOI:
10.1021/acs.jmedchem.0c01183
BindingDB Entry DOI:
10.7270/Q20C50C7
More data for this
Ligand-Target Pair
3D Structure (crystal)
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