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7 similar compounds to monomer 50008864

Compile data set for download or QSAR
Wt: 478.9
BDBM50008873
Wt: 425.8
BDBM50008865
Wt: 450.5
BDBM50008871
Wt: 462.9
BDBM50008863
Wt: 442.9
BDBM50008868
Wt: 433.4
BDBM50008870
Wt: 469.5
BDBM50008872

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50008873,50008865,50008871,50008863,50008868,50008870,50008872   
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 2


(Homo sapiens (Human))
BDBM50008863
PNG
(CHEMBL3236967)
Show SMILES CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)S(C)=O
Show InChI InChI=1/C21H19ClN2O4S2/c1-24(18-10-6-16(22)7-11-18)30(27,28)20-5-3-4-15(14-20)21(25)23-17-8-12-19(13-9-17)29(2)26/h3-14H,1-2H3,(H,23,25)
PDB
MMDB

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GoogleScholar
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PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.50E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of SIRT-2 (unknown origin) by fluorescence assay


Eur J Med Chem 76: 414-26 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.003
BindingDB Entry DOI: 10.7270/Q2VX0J26
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50008865
PNG
(CHEMBL3236972)
Show SMILES CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C21H16ClN3O3S/c1-25(19-11-7-17(22)8-12-19)29(27,28)20-4-2-3-16(13-20)21(26)24-18-9-5-15(14-23)6-10-18/h2-13H,1H3,(H,24,26)
PDB
MMDB

NCI pathway
KEGG

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of SIRT-2 (unknown origin) by fluorescence assay


Eur J Med Chem 76: 414-26 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.003
BindingDB Entry DOI: 10.7270/Q2VX0J26
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50008868
PNG
(CHEMBL3237010)
Show SMILES CN(c1ccc(cc1)C(C)=O)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClN2O4S/c1-15(26)16-6-12-20(13-7-16)25(2)30(28,29)21-5-3-4-17(14-21)22(27)24-19-10-8-18(23)9-11-19/h3-14H,1-2H3,(H,24,27)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of SIRT-2 (unknown origin) by fluorescence assay


Eur J Med Chem 76: 414-26 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.003
BindingDB Entry DOI: 10.7270/Q2VX0J26
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50008873
PNG
(CHEMBL3237025)
Show SMILES CN(c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClN2O5S2/c1-24(18-10-12-19(13-11-18)30(2,26)27)31(28,29)20-5-3-4-15(14-20)21(25)23-17-8-6-16(22)7-9-17/h3-14H,1-2H3,(H,23,25)
PDB
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NCI pathway
KEGG

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UniChem

Similars

Article
PubMed
n/an/a 1.59E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of SIRT-2 (unknown origin) by fluorescence assay


Eur J Med Chem 76: 414-26 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.003
BindingDB Entry DOI: 10.7270/Q2VX0J26
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50008871
PNG
(CHEMBL3237017)
Show SMILES CN(c1ccc(cc1)C(C)=O)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C24H22N2O5S/c1-16(27)18-7-11-21(12-8-18)25-24(29)20-5-4-6-23(15-20)32(30,31)26(3)22-13-9-19(10-14-22)17(2)28/h4-15H,1-3H3,(H,25,29)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.89E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of SIRT-2 (unknown origin) by fluorescence assay


Eur J Med Chem 76: 414-26 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.003
BindingDB Entry DOI: 10.7270/Q2VX0J26
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50008872
PNG
(CHEMBL3237023)
Show SMILES CN(c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C22H19N3O5S2/c1-25(19-10-12-20(13-11-19)31(2,27)28)32(29,30)21-5-3-4-17(14-21)22(26)24-18-8-6-16(15-23)7-9-18/h3-14H,1-2H3,(H,24,26)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.50E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of SIRT-2 (unknown origin) by fluorescence assay


Eur J Med Chem 76: 414-26 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.003
BindingDB Entry DOI: 10.7270/Q2VX0J26
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50008870
PNG
(CHEMBL3237014)
Show SMILES CN(c1ccc(cc1)C(C)=O)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C23H19N3O4S/c1-16(27)18-8-12-21(13-9-18)26(2)31(29,30)22-5-3-4-19(14-22)23(28)25-20-10-6-17(15-24)7-11-20/h3-14H,1-2H3,(H,25,28)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of SIRT-2 (unknown origin) by fluorescence assay


Eur J Med Chem 76: 414-26 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.003
BindingDB Entry DOI: 10.7270/Q2VX0J26
More data for this
Ligand-Target Pair