Found 42 hits with Last Name = 'jochum' and Initial = 'a' 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 |
|---|
Creatine kinase M-type
(Oryctolagus cuniculus) | BDBM50370908
(CHEMBL373782)Show SMILES OC(=O)c1ccc(o1)-c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H17NO5/c27-23(17-4-2-1-3-5-17)18-10-12-20(13-11-18)26-24(28)19-8-6-16(7-9-19)21-14-15-22(31-21)25(29)30/h1-15H,(H,26,28)(H,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Claude Bernard Lyon 1
Curated by ChEMBL
| Assay Description
Inhibition of rabbit muscle creatine kinase by pH-stat assay |
J Med Chem 50: 1865-75 (2007)
Article DOI: 10.1021/jm061460r
BindingDB Entry DOI: 10.7270/Q2HT2Q3B |
More data for this
Ligand-Target Pair | |
Creatine kinase M-type
(Oryctolagus cuniculus) | BDBM50370908
(CHEMBL373782)Show SMILES OC(=O)c1ccc(o1)-c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H17NO5/c27-23(17-4-2-1-3-5-17)18-10-12-20(13-11-18)26-24(28)19-8-6-16(7-9-19)21-14-15-22(31-21)25(29)30/h1-15H,(H,26,28)(H,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Claude Bernard Lyon 1
Curated by ChEMBL
| Assay Description
Inhibition of rabbit muscle creatine kinase-MgATP complex by pH-stat assay |
J Med Chem 50: 1865-75 (2007)
Article DOI: 10.1021/jm061460r
BindingDB Entry DOI: 10.7270/Q2HT2Q3B |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM3175
(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32) | PDB
MMDB
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CHEMBL
MCE
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PC cid
PC sid
PDB
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| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 by fluorescent deacetylase assay |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM3175
(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32) | PDB
MMDB
NCI pathway
KEGG
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CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM3175
(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32) | PDB
MMDB
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CHEMBL
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PC cid
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| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 by radioactive deacetylase assay |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50199961
(3-(1-{2-[1-(1,4-dioxa-spiro[4.5]dec-2-yl)-3-hydrox...)Show SMILES OCCC(OCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3cccc(F)c23)c2ccccc12)C1COC2(CCCCC2)O1 |t:10| Show InChI InChI=1S/C33H34FN3O6/c34-23-8-6-9-24-28(23)21(17-35-24)29-30(32(40)36-31(29)39)22-18-37(25-10-3-2-7-20(22)25)14-16-41-26(11-15-38)27-19-42-33(43-27)12-4-1-5-13-33/h2-3,6-10,17-18,26-27,35,38H,1,4-5,11-16,19H2,(H,36,39,40) | PDB
MMDB
NCI pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50199962
(3-(1-{2-[1-(1,4-dioxa-spiro[4.5]dec-2-yl)-3-hydrox...)Show SMILES OCCC(OCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12)C1COC2(CCCCC2)O1 |t:10| Show InChI InChI=1S/C33H35N3O6/c37-16-12-27(28-20-41-33(42-28)13-6-1-7-14-33)40-17-15-36-19-24(22-9-3-5-11-26(22)36)30-29(31(38)35-32(30)39)23-18-34-25-10-4-2-8-21(23)25/h2-5,8-11,18-19,27-28,34,37H,1,6-7,12-17,20H2,(H,35,38,39) | PDB
MMDB
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KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM3175
(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32) | PDB
NCI pathway
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CHEMBL
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PC cid
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| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human SIRT1 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM3175
(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32) | PDB
NCI pathway
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CHEMBL
MCE
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human SIRT1 by fluorescent deacetylase assay |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM2583
(3,4-Bis(3-indolyl)-1H-pyrrole-2,5-dione | 3,4-bis(...)Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:5| Show InChI InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25) | PDB
MMDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM3175
(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32) | PDB
NCI pathway
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CHEMBL
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PC cid
PC sid
PDB
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| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human SIRT1 by radioactive deacetylase assay |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM2683
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31) | PDB
MMDB
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PC cid
PC sid
PDB
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM2683
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31) | PDB
MMDB
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CHEMBL
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MCE
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 by fluorescent deacetylase assay |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM7307
(5-benzyl-9-bromopaullone | 8-benzyl-14-bromo-8,18-...)Show SMILES Brc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1 Show InChI InChI=1S/C23H17BrN2O/c24-16-10-11-20-18(12-16)19-13-22(27)26(14-15-6-2-1-3-7-15)21-9-5-4-8-17(21)23(19)25-20/h1-12,25H,13-14H2 | PDB
NCI pathway
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human SIRT1 by radioactive deacetylase assay |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM2694
(3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl...)Show SMILES CN1CCCC1CCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:12| Show InChI InChI=1S/C27H26N4O2/c1-30-13-6-7-17(30)12-14-31-16-21(19-9-3-5-11-23(19)31)25-24(26(32)29-27(25)33)20-15-28-22-10-4-2-8-18(20)22/h2-5,8-11,15-17,28H,6-7,12-14H2,1H3,(H,29,32,33) | PDB
MMDB
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PubMed
| n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50199954
(3-(4-fluoro-1H-indol-3-yl)-4-(1-(2-(1,2,5-trihydro...)Show SMILES OCCC(OCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3cccc(F)c23)c2ccccc12)C(O)CO |t:10| Show InChI InChI=1S/C27H26FN3O6/c28-18-5-3-6-19-23(18)16(12-29-19)24-25(27(36)30-26(24)35)17-13-31(20-7-2-1-4-15(17)20)9-11-37-22(8-10-32)21(34)14-33/h1-7,12-13,21-22,29,32-34H,8-11,14H2,(H,30,35,36) | 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 | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM7307
(5-benzyl-9-bromopaullone | 8-benzyl-14-bromo-8,18-...)Show SMILES Brc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1 Show InChI InChI=1S/C23H17BrN2O/c24-16-10-11-20-18(12-16)19-13-22(27)26(14-15-6-2-1-3-7-15)21-9-5-4-8-17(21)23(19)25-20/h1-12,25H,13-14H2 | PDB
MMDB
NCI pathway
KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 by radioactive deacetylase assay |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM2683
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31) | PDB
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| n/a | n/a | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 by radioactive deacetylase assay |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM2582
(3,4-bis(1H-indol-3-yl)-1-methyl-2,5-dihydro-1H-pyr...)Show SMILES CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4| Show InChI InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3 | PDB
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| n/a | n/a | 1.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human SIRT1 by radioactive deacetylase assay |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50199963
((18S)-18-{1,4-dioxaspiro[4.5]decan-2-yl}-9-fluoro-...)Show SMILES Fc1cccc2n3CCO[C@@H](CCn4cc(C5=C(C(=O)NC5=O)c(c3)c12)c1ccccc41)C1COC2(CCCCC2)O1 |r,t:16| Show InChI InChI=1S/C33H32FN3O5/c34-23-8-6-10-25-28(23)22-18-37(25)15-16-40-26(27-19-41-33(42-27)12-4-1-5-13-33)11-14-36-17-21(20-7-2-3-9-24(20)36)29-30(22)32(39)35-31(29)38/h2-3,6-10,17-18,26-27H,1,4-5,11-16,19H2,(H,35,38,39)/t26-,27?/m0/s1 | PDB
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| n/a | n/a | 2.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM2683
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31) | PDB
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| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human SIRT1 by radioactive deacetylase assay |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM2582
(3,4-bis(1H-indol-3-yl)-1-methyl-2,5-dihydro-1H-pyr...)Show SMILES CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4| Show InChI InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3 | PDB
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| n/a | n/a | 2.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 by radioactive deacetylase assay |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM27507
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) | PDB
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Article
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| n/a | n/a | 3.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM2582
(3,4-bis(1H-indol-3-yl)-1-methyl-2,5-dihydro-1H-pyr...)Show SMILES CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4| Show InChI InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3 | PDB
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| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM2582
(3,4-bis(1H-indol-3-yl)-1-methyl-2,5-dihydro-1H-pyr...)Show SMILES CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4| Show InChI InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3 | PDB
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| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 by fluorescent deacetylase assay |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50199960
(1-Benzyl-3,4-bis-(1H-indol-3-yl)-pyrrole-2,5-dione...)Show SMILES O=C1N(Cc2ccccc2)C(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:13| Show InChI InChI=1S/C27H19N3O2/c31-26-24(20-14-28-22-12-6-4-10-18(20)22)25(21-15-29-23-13-7-5-11-19(21)23)27(32)30(26)16-17-8-2-1-3-9-17/h1-15,28-29H,16H2 | PDB
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| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM7307
(5-benzyl-9-bromopaullone | 8-benzyl-14-bromo-8,18-...)Show SMILES Brc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1 Show InChI InChI=1S/C23H17BrN2O/c24-16-10-11-20-18(12-16)19-13-22(27)26(14-15-6-2-1-3-7-15)21-9-5-4-8-17(21)23(19)25-20/h1-12,25H,13-14H2 | PDB
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| n/a | n/a | 4.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM7307
(5-benzyl-9-bromopaullone | 8-benzyl-14-bromo-8,18-...)Show SMILES Brc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1 Show InChI InChI=1S/C23H17BrN2O/c24-16-10-11-20-18(12-16)19-13-22(27)26(14-15-6-2-1-3-7-15)21-9-5-4-8-17(21)23(19)25-20/h1-12,25H,13-14H2 | PDB
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| n/a | n/a | 4.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 by fluorescent deacetylase assay |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50199959
((18R,19R)-18-[(dimethylamino)methyl]-19,26-difluor...)Show SMILES CN(C)C[C@H]1OCCn2cc(C3=C(C(=O)NC3=O)c3cn(C[C@H]1F)c1cccc(F)c31)c1ccccc21 |r,t:11| Show InChI InChI=1S/C28H26F2N4O3/c1-32(2)15-23-20(30)14-34-13-18(24-19(29)7-5-9-22(24)34)26-25(27(35)31-28(26)36)17-12-33(10-11-37-23)21-8-4-3-6-16(17)21/h3-9,12-13,20,23H,10-11,14-15H2,1-2H3,(H,31,35,36)/t20-,23-/m1/s1 | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM2582
(3,4-bis(1H-indol-3-yl)-1-methyl-2,5-dihydro-1H-pyr...)Show SMILES CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4| Show InChI InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3 | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human SIRT1 by fluorescent deacetylase assay |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM7307
(5-benzyl-9-bromopaullone | 8-benzyl-14-bromo-8,18-...)Show SMILES Brc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1 Show InChI InChI=1S/C23H17BrN2O/c24-16-10-11-20-18(12-16)19-13-22(27)26(14-15-6-2-1-3-7-15)21-9-5-4-8-17(21)23(19)25-20/h1-12,25H,13-14H2 | PDB
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| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human SIRT1 by fluorescent deacetylase assay |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM2582
(3,4-bis(1H-indol-3-yl)-1-methyl-2,5-dihydro-1H-pyr...)Show SMILES CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4| Show InChI InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3 | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human SIRT1 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
Creatine kinase M-type
(Oryctolagus cuniculus) | BDBM50370908
(CHEMBL373782)Show SMILES OC(=O)c1ccc(o1)-c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H17NO5/c27-23(17-4-2-1-3-5-17)18-10-12-20(13-11-18)26-24(28)19-8-6-16(7-9-19)21-14-15-22(31-21)25(29)30/h1-15H,(H,26,28)(H,29,30) | PDB
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| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Claude Bernard Lyon 1
Curated by ChEMBL
| Assay Description
Inhibition of rabbit muscle creatine kinase by pH-stat assay |
J Med Chem 50: 1865-75 (2007)
Article DOI: 10.1021/jm061460r
BindingDB Entry DOI: 10.7270/Q2HT2Q3B |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50199958
(18-(1,2-dihydroxyethyl)-26-fluoro-17-oxa-4,14,21-t...)Show SMILES OCC(O)C1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1c(F)cccc21 |t:10| Show InChI InChI=1S/C27H24FN3O5/c28-18-5-3-7-20-23(18)17-13-30(20)9-8-22(21(33)14-32)36-11-10-31-12-16(15-4-1-2-6-19(15)31)24-25(17)27(35)29-26(24)34/h1-7,12-13,21-22,32-33H,8-11,14H2,(H,29,34,35) | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM2683
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31) | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human SIRT1 by fluorescent deacetylase assay |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM2683
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31) | PDB
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Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human SIRT1 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50156760
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+ | PDB
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| n/a | n/a | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50199956
(3,4-bis(1-benzyl-1H-indol-3-yl)-1-methyl-1H-pyrrol...)Show SMILES CN1C(=O)C(=C(C1=O)c1cn(Cc2ccccc2)c2ccccc12)c1cn(Cc2ccccc2)c2ccccc12 |c:4| Show InChI InChI=1S/C35H27N3O2/c1-36-34(39)32(28-22-37(20-24-12-4-2-5-13-24)30-18-10-8-16-26(28)30)33(35(36)40)29-23-38(21-25-14-6-3-7-15-25)31-19-11-9-17-27(29)31/h2-19,22-23H,20-21H2,1H3 | PDB
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| n/a | n/a | 7.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM3033
(3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0...)Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12 Show InChI InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29) | PDB
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Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50199957
(3,4-bis(1-(7-hydroxyheptyl)-1H-indol-3-yl)-1-methy...)Show SMILES CN1C(=O)C(=C(C1=O)c1cn(CCCCCCCO)c2ccccc12)c1cn(CCCCCCCO)c2ccccc12 |c:4| Show InChI InChI=1S/C35H43N3O4/c1-36-34(41)32(28-24-37(20-12-4-2-6-14-22-39)30-18-10-8-16-26(28)30)33(35(36)42)29-25-38(21-13-5-3-7-15-23-40)31-19-11-9-17-27(29)31/h8-11,16-19,24-25,39-40H,2-7,12-15,20-23H2,1H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50199955
(3,4-bis(1-heptyl-1H-indol-3-yl)-1-methyl-1H-pyrrol...)Show SMILES CCCCCCCn1cc(C2=C(C(=O)N(C)C2=O)c2cn(CCCCCCC)c3ccccc23)c2ccccc12 |t:10| Show InChI InChI=1S/C35H43N3O2/c1-4-6-8-10-16-22-37-24-28(26-18-12-14-20-30(26)37)32-33(35(40)36(3)34(32)39)29-25-38(23-17-11-9-7-5-2)31-21-15-13-19-27(29)31/h12-15,18-21,24-25H,4-11,16-17,22-23H2,1-3H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM7266
(14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)Show InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20) | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität Freiburg
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT2 |
J Med Chem 49: 7307-16 (2006)
Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P |
More data for this
Ligand-Target Pair | |
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