Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50043758 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50445823
(CHEMBL3105180)Show SMILES CCOC(=O)c1ccc2n(CCO)c(nc2c1)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C20H23N3O3/c1-4-26-20(25)15-7-10-18-17(13-15)21-19(23(18)11-12-24)14-5-8-16(9-6-14)22(2)3/h5-10,13,24H,4,11-12H2,1-3H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Sains Malaysia
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His-tagged SIRT2 (13 to 319) after 45 mins by fluorescence assay |
Bioorg Med Chem 22: 703-10 (2014)
Article DOI: 10.1016/j.bmc.2013.12.029
BindingDB Entry DOI: 10.7270/Q2G1629F |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM29040
(cambinol)Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.79E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Sains Malaysia
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal GST-tagged SIRT1 (193 to 741) after 45 mins by fluorescence assay |
Bioorg Med Chem 22: 703-10 (2014)
Article DOI: 10.1016/j.bmc.2013.12.029
BindingDB Entry DOI: 10.7270/Q2G1629F |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM29040
(cambinol)Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Sains Malaysia
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His-tagged SIRT2 (13 to 319) after 45 mins by fluorescence assay |
Bioorg Med Chem 22: 703-10 (2014)
Article DOI: 10.1016/j.bmc.2013.12.029
BindingDB Entry DOI: 10.7270/Q2G1629F |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50445821
(CHEMBL3105182)Show InChI InChI=1S/C19H18N2O5/c1-2-24-19(23)13-3-5-15-14(9-13)20-18(21(15)7-8-22)12-4-6-16-17(10-12)26-11-25-16/h3-6,9-10,22H,2,7-8,11H2,1H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Sains Malaysia
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His-tagged SIRT2 (13 to 319) after 45 mins by fluorescence assay |
Bioorg Med Chem 22: 703-10 (2014)
Article DOI: 10.1016/j.bmc.2013.12.029
BindingDB Entry DOI: 10.7270/Q2G1629F |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50445823
(CHEMBL3105180)Show SMILES CCOC(=O)c1ccc2n(CCO)c(nc2c1)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C20H23N3O3/c1-4-26-20(25)15-7-10-18-17(13-15)21-19(23(18)11-12-24)14-5-8-16(9-6-14)22(2)3/h5-10,13,24H,4,11-12H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Sains Malaysia
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal GST-tagged SIRT1 (193 to 741) after 45 mins by fluorescence assay |
Bioorg Med Chem 22: 703-10 (2014)
Article DOI: 10.1016/j.bmc.2013.12.029
BindingDB Entry DOI: 10.7270/Q2G1629F |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50445822
(CHEMBL3105181)Show SMILES CCOC(=O)c1ccc2n(CCO)c(nc2c1)-c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C23H27N3O3/c1-2-29-23(28)18-8-11-21-20(16-18)24-22(26(21)14-15-27)17-6-9-19(10-7-17)25-12-4-3-5-13-25/h6-11,16,27H,2-5,12-15H2,1H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Sains Malaysia
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His-tagged SIRT2 (13 to 319) after 45 mins by fluorescence assay |
Bioorg Med Chem 22: 703-10 (2014)
Article DOI: 10.1016/j.bmc.2013.12.029
BindingDB Entry DOI: 10.7270/Q2G1629F |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50445822
(CHEMBL3105181)Show SMILES CCOC(=O)c1ccc2n(CCO)c(nc2c1)-c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C23H27N3O3/c1-2-29-23(28)18-8-11-21-20(16-18)24-22(26(21)14-15-27)17-6-9-19(10-7-17)25-12-4-3-5-13-25/h6-11,16,27H,2-5,12-15H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Sains Malaysia
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal GST-tagged SIRT1 (193 to 741) after 45 mins by fluorescence assay |
Bioorg Med Chem 22: 703-10 (2014)
Article DOI: 10.1016/j.bmc.2013.12.029
BindingDB Entry DOI: 10.7270/Q2G1629F |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50445821
(CHEMBL3105182)Show InChI InChI=1S/C19H18N2O5/c1-2-24-19(23)13-3-5-15-14(9-13)20-18(21(15)7-8-22)12-4-6-16-17(10-12)26-11-25-16/h3-6,9-10,22H,2,7-8,11H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Sains Malaysia
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal GST-tagged SIRT1 (193 to 741) after 45 mins by fluorescence assay |
Bioorg Med Chem 22: 703-10 (2014)
Article DOI: 10.1016/j.bmc.2013.12.029
BindingDB Entry DOI: 10.7270/Q2G1629F |
More data for this
Ligand-Target Pair | |
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