Found 10 hits of Enzyme Inhibition Constant Data 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)) | BDBM50096903
(CHEMBL3580805)Show SMILES CSc1ccc(CSc2cccc(c2)C(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C22H18N2OS2/c1-26-20-11-7-17(8-12-20)15-27-21-4-2-3-18(13-21)22(25)24-19-9-5-16(14-23)6-10-19/h2-13H,15H2,1H3,(H,24,25) | 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 | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT2 (unknown origin) by Flour-de-Lys fluorescent biochemical assay |
ACS Med Chem Lett 6: 607-11 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00075
BindingDB Entry DOI: 10.7270/Q2XS5X4S |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50096905
(CHEMBL3580803)Show SMILES Clc1ccc(CSc2cccc(c2)C(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C21H15ClN2OS/c22-18-8-4-16(5-9-18)14-26-20-3-1-2-17(12-20)21(25)24-19-10-6-15(13-23)7-11-19/h1-12H,14H2,(H,24,25) | 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 | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT2 (unknown origin) by Flour-de-Lys fluorescent biochemical assay |
ACS Med Chem Lett 6: 607-11 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00075
BindingDB Entry DOI: 10.7270/Q2XS5X4S |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50096901
(CHEMBL3580796)Show SMILES Clc1ccc(CS(=O)(=O)c2cccc(c2)C(=O)Nc2ccc(cn2)C#N)cc1 Show InChI InChI=1S/C20H14ClN3O3S/c21-17-7-4-14(5-8-17)13-28(26,27)18-3-1-2-16(10-18)20(25)24-19-9-6-15(11-22)12-23-19/h1-10,12H,13H2,(H,23,24,25) | 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 | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT2 (unknown origin) by Flour-de-Lys fluorescent biochemical assay |
ACS Med Chem Lett 6: 607-11 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00075
BindingDB Entry DOI: 10.7270/Q2XS5X4S |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50008875
(CHEMBL3237032)Show SMILES CN(c1ccc(Cl)cn1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)C#N Show InChI InChI=1S/C20H15ClN4O3S/c1-25(19-10-7-16(21)13-23-19)29(27,28)18-4-2-3-15(11-18)20(26)24-17-8-5-14(12-22)6-9-17/h2-11,13H,1H3,(H,24,26) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT2 (unknown origin) by Flour-de-Lys fluorescent biochemical assay |
ACS Med Chem Lett 6: 607-11 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00075
BindingDB Entry DOI: 10.7270/Q2XS5X4S |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50096900
(CHEMBL3580802)Show SMILES COc1ccc(CS(=O)(=O)c2cccc(c2)C(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C22H18N2O4S/c1-28-20-11-7-17(8-12-20)15-29(26,27)21-4-2-3-18(13-21)22(25)24-19-9-5-16(14-23)6-10-19/h2-13H,15H2,1H3,(H,24,25) | 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 | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT2 (unknown origin) by Flour-de-Lys fluorescent biochemical assay |
ACS Med Chem Lett 6: 607-11 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00075
BindingDB Entry DOI: 10.7270/Q2XS5X4S |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50096902
(CHEMBL3580806)Show SMILES [O-][S+](Cc1ccc(Cl)cc1)c1cccc(c1)C(=O)Nc1ccc(cc1)C#N Show InChI InChI=1S/C21H15ClN2O2S/c22-18-8-4-16(5-9-18)14-27(26)20-3-1-2-17(12-20)21(25)24-19-10-6-15(13-23)7-11-19/h1-12H,14H2,(H,24,25) | 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 | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT2 (unknown origin) by Flour-de-Lys fluorescent biochemical assay |
ACS Med Chem Lett 6: 607-11 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00075
BindingDB Entry DOI: 10.7270/Q2XS5X4S |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50096904
(CHEMBL3580804)Show SMILES C[S+]([O-])c1ccc(NC(=O)c2cccc(SCc3ccc(Cl)cc3)c2)cc1 Show InChI InChI=1S/C21H18ClNO2S2/c1-27(25)20-11-9-18(10-12-20)23-21(24)16-3-2-4-19(13-16)26-14-15-5-7-17(22)8-6-15/h2-13H,14H2,1H3,(H,23,24) | 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 | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT2 (unknown origin) by Flour-de-Lys fluorescent biochemical assay |
ACS Med Chem Lett 6: 607-11 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00075
BindingDB Entry DOI: 10.7270/Q2XS5X4S |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50346541
(CHEMBL1797749)Show SMILES [O-][N+](=O)c1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCCC2)c1 Show InChI InChI=1S/C19H21N3O5S/c23-19(20-16-8-6-9-17(14-16)22(24)25)15-7-5-10-18(13-15)28(26,27)21-11-3-1-2-4-12-21/h5-10,13-14H,1-4,11-12H2,(H,20,23) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT2 (unknown origin) by Flour-de-Lys fluorescent biochemical assay |
ACS Med Chem Lett 6: 607-11 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00075
BindingDB Entry DOI: 10.7270/Q2XS5X4S |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50346541
(CHEMBL1797749)Show SMILES [O-][N+](=O)c1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCCC2)c1 Show InChI InChI=1S/C19H21N3O5S/c23-19(20-16-8-6-9-17(14-16)22(24)25)15-7-5-10-18(13-15)28(26,27)21-11-3-1-2-4-12-21/h5-10,13-14H,1-4,11-12H2,(H,20,23) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT2 (unknown origin) |
ACS Med Chem Lett 6: 607-11 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00075
BindingDB Entry DOI: 10.7270/Q2XS5X4S |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50008859
(CHEMBL3222141)Show SMILES Brc1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCCC2)c1 Show InChI InChI=1S/C19H21BrN2O3S/c20-16-8-6-9-17(14-16)21-19(23)15-7-5-10-18(13-15)26(24,25)22-11-3-1-2-4-12-22/h5-10,13-14H,1-4,11-12H2,(H,21,23) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT2 (unknown origin) |
ACS Med Chem Lett 6: 607-11 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00075
BindingDB Entry DOI: 10.7270/Q2XS5X4S |
More data for this
Ligand-Target Pair | |
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