Found 203 hits with Last Name = 'paquin' and Initial = 'i' 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 |
|---|
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19428
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
| Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... |
J Med Chem 50: 5543-6 (2007)
Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19428
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
| Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... |
J Med Chem 50: 5543-6 (2007)
Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM19428
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
| Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... |
J Med Chem 50: 5543-6 (2007)
Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19412
(CHEMBL235674 | benzamide-type inhibitor, 4 | pyrid...)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1cccs1 Show InChI InChI=1S/C25H22N4O3S/c26-21-10-9-20(23-4-2-12-33-23)13-22(21)29-24(30)19-7-5-17(6-8-19)15-28-25(31)32-16-18-3-1-11-27-14-18/h1-14H,15-16,26H2,(H,28,31)(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | 8.0 | 37 |
MethylGene Inc
| Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... |
J Med Chem 50: 5543-6 (2007)
Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50226108
(CHEMBL238568 | N-(2-aminophenyl)-4-((4-oxo-4H-chro...)Show InChI InChI=1S/C23H18N2O3/c24-19-6-2-3-7-20(19)25-23(27)16-11-9-15(10-12-16)13-17-14-28-21-8-4-1-5-18(21)22(17)26/h1-12,14H,13,24H2,(H,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 expressed in insect Sf9 cells |
Bioorg Med Chem Lett 17: 6729-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.050
BindingDB Entry DOI: 10.7270/Q2V124J9 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50232653
(CHEMBL403467 | N-(2-aminophenyl)-4-((6-methoxybenz...)Show SMILES COc1ccc2nc(NCc3ccc(cc3)C(=O)Nc3ccccc3N)sc2c1 Show InChI InChI=1S/C22H20N4O2S/c1-28-16-10-11-19-20(12-16)29-22(26-19)24-13-14-6-8-15(9-7-14)21(27)25-18-5-3-2-4-17(18)23/h2-12H,13,23H2,1H3,(H,24,26)(H,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 |
Bioorg Med Chem Lett 18: 1502-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50373681
(CHEMBL257631)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(NC3CC3)nc(NC3Cc4ccccc4C3)n2)cc1 Show InChI InChI=1S/C29H30N8O/c30-24-7-3-4-8-25(24)34-26(38)19-11-9-18(10-12-19)17-31-27-35-28(32-22-13-14-22)37-29(36-27)33-23-15-20-5-1-2-6-21(20)16-23/h1-12,22-23H,13-17,30H2,(H,34,38)(H3,31,32,33,35,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 |
Bioorg Med Chem Lett 18: 1067-71 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19421
(4-{[(3,4-dimethoxyphenyl)amino]methyl}-N-[2-hydrox...)Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2O)-c2cccs2)cc1OC Show InChI InChI=1S/C26H24N2O4S/c1-31-23-12-10-20(15-24(23)32-2)27-16-17-5-7-18(8-6-17)26(30)28-21-14-19(9-11-22(21)29)25-4-3-13-33-25/h3-15,27,29H,16H2,1-2H3,(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 8.0 | 37 |
MethylGene Inc
| Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... |
J Med Chem 50: 5543-6 (2007)
Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19423
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
| Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... |
J Med Chem 50: 5543-6 (2007)
Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50373683
(CHEMBL257835)Show SMILES Nc1nc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(n1)N1Cc2ccccc2C1 Show InChI InChI=1S/C25H24N8O/c26-20-7-3-4-8-21(20)29-22(34)17-11-9-16(10-12-17)13-28-24-30-23(27)31-25(32-24)33-14-18-5-1-2-6-19(18)15-33/h1-12H,13-15,26H2,(H,29,34)(H3,27,28,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 |
Bioorg Med Chem Lett 18: 1067-71 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19427
(N-[2-amino-5-(thiophen-2-yl)phenyl]-4-methoxybenza...)Show InChI InChI=1S/C18H16N2O2S/c1-22-14-7-4-12(5-8-14)18(21)20-16-11-13(6-9-15(16)19)17-3-2-10-23-17/h2-11H,19H2,1H3,(H,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
| Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... |
J Med Chem 50: 5543-6 (2007)
Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19417
(N-[2-amino-5-(furan-3-yl)phenyl]-4-{[(3,4-dimethox...)Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccoc2)cc1OC Show InChI InChI=1S/C26H25N3O4/c1-31-24-10-8-21(14-25(24)32-2)28-15-17-3-5-18(6-4-17)26(30)29-23-13-19(7-9-22(23)27)20-11-12-33-16-20/h3-14,16,28H,15,27H2,1-2H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | 8.0 | 37 |
MethylGene Inc
| Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... |
J Med Chem 50: 5543-6 (2007)
Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19416
(N-[2-amino-5-(thiophen-3-yl)phenyl]-4-{[(3,4-dimet...)Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccsc2)cc1OC Show InChI InChI=1S/C26H25N3O3S/c1-31-24-10-8-21(14-25(24)32-2)28-15-17-3-5-18(6-4-17)26(30)29-23-13-19(7-9-22(23)27)20-11-12-33-16-20/h3-14,16,28H,15,27H2,1-2H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | 8.0 | 37 |
MethylGene Inc
| Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... |
J Med Chem 50: 5543-6 (2007)
Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50373689
(CHEMBL271862)Show SMILES COc1ccc(cc1OC)-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C26H25N5O3/c1-33-23-12-11-19(15-24(23)34-2)21-13-14-28-26(31-21)29-16-17-7-9-18(10-8-17)25(32)30-22-6-4-3-5-20(22)27/h3-15H,16,27H2,1-2H3,(H,30,32)(H,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 |
Bioorg Med Chem Lett 18: 1067-71 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19414
(N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{[(3,4-dimet...)Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2cccs2)cc1OC Show InChI InChI=1S/C26H25N3O3S/c1-31-23-12-10-20(15-24(23)32-2)28-16-17-5-7-18(8-6-17)26(30)29-22-14-19(9-11-21(22)27)25-4-3-13-33-25/h3-15,28H,16,27H2,1-2H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | 8.0 | 37 |
MethylGene Inc
| Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... |
J Med Chem 50: 5543-6 (2007)
Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50373686
(CHEMBL404332)Show SMILES CCCCn1cnc2c(NCc3ccc(cc3)C(=O)Nc3ccccc3N)nc(Cl)nc12 Show InChI InChI=1S/C23H24ClN7O/c1-2-3-12-31-14-27-19-20(29-23(24)30-21(19)31)26-13-15-8-10-16(11-9-15)22(32)28-18-7-5-4-6-17(18)25/h4-11,14H,2-3,12-13,25H2,1H3,(H,28,32)(H,26,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 |
Bioorg Med Chem Lett 18: 1067-71 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50255261
(CHEMBL479278 | N-(2-aminophenyl)-4-((4-(6-morpholi...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2ccc(nc2)N2CCOCC2)cc1 Show InChI InChI=1S/C27H27N7O2/c28-22-3-1-2-4-24(22)32-26(35)20-7-5-19(6-8-20)17-31-27-29-12-11-23(33-27)21-9-10-25(30-18-21)34-13-15-36-16-14-34/h1-12,18H,13-17,28H2,(H,32,35)(H,29,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 |
Bioorg Med Chem Lett 19: 644-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50232646
(CHEMBL254112 | N-(2-aminophenyl)-4-((6-bromobenzo[...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc3ccc(Br)cc3s2)cc1 Show InChI InChI=1S/C21H17BrN4OS/c22-15-9-10-18-19(11-15)28-21(26-18)24-12-13-5-7-14(8-6-13)20(27)25-17-4-2-1-3-16(17)23/h1-11H,12,23H2,(H,24,26)(H,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 |
Bioorg Med Chem Lett 18: 1502-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19415
(N-(2-amino-5-phenylphenyl)-4-{[(3,4-dimethoxypheny...)Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccccc2)cc1OC Show InChI InChI=1S/C28H27N3O3/c1-33-26-15-13-23(17-27(26)34-2)30-18-19-8-10-21(11-9-19)28(32)31-25-16-22(12-14-24(25)29)20-6-4-3-5-7-20/h3-17,30H,18,29H2,1-2H3,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | 8.0 | 37 |
MethylGene Inc
| Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... |
J Med Chem 50: 5543-6 (2007)
Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19421
(4-{[(3,4-dimethoxyphenyl)amino]methyl}-N-[2-hydrox...)Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2O)-c2cccs2)cc1OC Show InChI InChI=1S/C26H24N2O4S/c1-31-23-12-10-20(15-24(23)32-2)27-16-17-5-7-18(8-6-17)26(30)28-21-14-19(9-11-22(21)29)25-4-3-13-33-25/h3-15,27,29H,16H2,1-2H3,(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | 8.0 | 37 |
MethylGene Inc
| Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... |
J Med Chem 50: 5543-6 (2007)
Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50226109
(CHEMBL401449 | N-(2-aminophenyl)-4-((2,4-dioxo-1,2...)Show SMILES Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 Show InChI InChI=1S/C20H16N4O3S/c21-14-3-1-2-4-15(14)22-18(25)13-7-5-12(6-8-13)11-24-19(26)17-16(9-10-28-17)23-20(24)27/h1-10H,11,21H2,(H,22,25)(H,23,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 expressed in insect Sf9 cells |
Bioorg Med Chem Lett 17: 6729-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.050
BindingDB Entry DOI: 10.7270/Q2V124J9 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19425
(N-[2-amino-5-(thiophen-2-yl)phenyl]quinoxaline-6-c...)Show InChI InChI=1S/C19H14N4OS/c20-14-5-3-12(18-2-1-9-25-18)10-16(14)23-19(24)13-4-6-15-17(11-13)22-8-7-21-15/h1-11H,20H2,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
| Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... |
J Med Chem 50: 5543-6 (2007)
Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50232650
(CHEMBL254519 | N-(2-aminophenyl)-4-((6-(2-morpholi...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc3ccc(OCCN4CCOCC4)cc3s2)cc1 Show InChI InChI=1S/C27H29N5O3S/c28-22-3-1-2-4-23(22)30-26(33)20-7-5-19(6-8-20)18-29-27-31-24-10-9-21(17-25(24)36-27)35-16-13-32-11-14-34-15-12-32/h1-10,17H,11-16,18,28H2,(H,29,31)(H,30,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 |
Bioorg Med Chem Lett 18: 1502-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19416
(N-[2-amino-5-(thiophen-3-yl)phenyl]-4-{[(3,4-dimet...)Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccsc2)cc1OC Show InChI InChI=1S/C26H25N3O3S/c1-31-24-10-8-21(14-25(24)32-2)28-15-17-3-5-18(6-4-17)26(30)29-23-13-19(7-9-22(23)27)20-11-12-33-16-20/h3-14,16,28H,15,27H2,1-2H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | 8.0 | 37 |
MethylGene Inc
| Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... |
J Med Chem 50: 5543-6 (2007)
Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50226111
(CHEMBL241337 | N-(2-aminophenyl)-4-((2,4-dioxo-1,2...)Show SMILES Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 Show InChI InChI=1S/C22H18N4O3/c23-17-6-2-4-8-19(17)24-20(27)15-11-9-14(10-12-15)13-26-21(28)16-5-1-3-7-18(16)25-22(26)29/h1-12H,13,23H2,(H,24,27)(H,25,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 expressed in insect Sf9 cells |
Bioorg Med Chem Lett 17: 6729-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.050
BindingDB Entry DOI: 10.7270/Q2V124J9 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19417
(N-[2-amino-5-(furan-3-yl)phenyl]-4-{[(3,4-dimethox...)Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccoc2)cc1OC Show InChI InChI=1S/C26H25N3O4/c1-31-24-10-8-21(14-25(24)32-2)28-15-17-3-5-18(6-4-17)26(30)29-23-13-19(7-9-22(23)27)20-11-12-33-16-20/h3-14,16,28H,15,27H2,1-2H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | 8.0 | 37 |
MethylGene Inc
| Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... |
J Med Chem 50: 5543-6 (2007)
Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50232648
(CHEMBL254309 | N-(2-aminophenyl)-4-((6-methoxy-1H-...)Show SMILES COc1ccc2nc(SCc3ccc(cc3)C(=O)Nc3ccccc3N)[nH]c2c1 Show InChI InChI=1S/C22H20N4O2S/c1-28-16-10-11-19-20(12-16)26-22(25-19)29-13-14-6-8-15(9-7-14)21(27)24-18-5-3-2-4-17(18)23/h2-12H,13,23H2,1H3,(H,24,27)(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 |
Bioorg Med Chem Lett 18: 1502-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50232649
(CHEMBL254310 | N-(2-aminophenyl)-4-((6-(pyridin-2-...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccc(NCc4ccccn4)cc3s2)cc1 Show InChI InChI=1S/C27H23N5OS2/c28-22-6-1-2-7-23(22)31-26(33)19-10-8-18(9-11-19)17-34-27-32-24-13-12-20(15-25(24)35-27)30-16-21-5-3-4-14-29-21/h1-15,30H,16-17,28H2,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 |
Bioorg Med Chem Lett 18: 1502-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50373680
(CHEMBL401751)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(NCCN3CCOCC3)nc(NC3Cc4ccccc4C3)n2)cc1 Show InChI InChI=1S/C32H37N9O2/c33-27-7-3-4-8-28(27)37-29(42)23-11-9-22(10-12-23)21-35-31-38-30(34-13-14-41-15-17-43-18-16-41)39-32(40-31)36-26-19-24-5-1-2-6-25(24)20-26/h1-12,26H,13-21,33H2,(H,37,42)(H3,34,35,36,38,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 |
Bioorg Med Chem Lett 18: 1067-71 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50232656
(CHEMBL403465 | N-(2-aminophenyl)-4-((5-phenyl-1H-p...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2cc(n[nH]2)-c2ccccc2)cc1 Show InChI InChI=1S/C23H21N5O/c24-19-8-4-5-9-20(19)26-23(29)18-12-10-16(11-13-18)15-25-22-14-21(27-28-22)17-6-2-1-3-7-17/h1-14H,15,24H2,(H,26,29)(H2,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 |
Bioorg Med Chem Lett 18: 1502-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50232658
(CHEMBL254311 | N-(2-aminophenyl)-4-((6-(2-morpholi...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccc(NCCN4CCOCC4)cc3s2)cc1 Show InChI InChI=1S/C27H29N5O2S2/c28-22-3-1-2-4-23(22)30-26(33)20-7-5-19(6-8-20)18-35-27-31-24-10-9-21(17-25(24)36-27)29-11-12-32-13-15-34-16-14-32/h1-10,17,29H,11-16,18,28H2,(H,30,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 |
Bioorg Med Chem Lett 18: 1502-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50255101
(CHEMBL519604 | N-(2-aminophenyl)-4-((6-(pyridin-3-...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2cc(ncn2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-20(19)29-23(30)17-9-7-16(8-10-17)13-26-22-12-21(27-15-28-22)18-4-3-11-25-14-18/h1-12,14-15H,13,24H2,(H,29,30)(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 |
Bioorg Med Chem Lett 19: 644-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50255378
(CHEMBL480623 | N-(2-aminophenyl)-4-((4-(thiophen-3...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2ccsc2)cc1 Show InChI InChI=1S/C22H19N5OS/c23-18-3-1-2-4-20(18)26-21(28)16-7-5-15(6-8-16)13-25-22-24-11-9-19(27-22)17-10-12-29-14-17/h1-12,14H,13,23H2,(H,26,28)(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 |
Bioorg Med Chem Lett 19: 644-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50255262
(CHEMBL479279 | N-(2-aminophenyl)-4-((4-(6-(4-methy...)Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C28H30N8O/c1-35-14-16-36(17-15-35)26-11-10-22(19-31-26)24-12-13-30-28(34-24)32-18-20-6-8-21(9-7-20)27(37)33-25-5-3-2-4-23(25)29/h2-13,19H,14-18,29H2,1H3,(H,33,37)(H,30,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 |
Bioorg Med Chem Lett 19: 644-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50232660
(CHEMBL402599 | N-(2-aminophenyl)-4-((5-phenyl-1,3,...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nnc(o2)-c2ccccc2)cc1 Show InChI InChI=1S/C22H18N4O2S/c23-18-8-4-5-9-19(18)24-20(27)16-12-10-15(11-13-16)14-29-22-26-25-21(28-22)17-6-2-1-3-7-17/h1-13H,14,23H2,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 |
Bioorg Med Chem Lett 18: 1502-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50255425
(CHEMBL516236 | N-(2-aminophenyl)-4-((4-(4-(2-morph...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2ccc(OCCN3CCOCC3)cc2)cc1 Show InChI InChI=1S/C30H32N6O3/c31-26-3-1-2-4-28(26)34-29(37)24-7-5-22(6-8-24)21-33-30-32-14-13-27(35-30)23-9-11-25(12-10-23)39-20-17-36-15-18-38-19-16-36/h1-14H,15-21,31H2,(H,34,37)(H,32,33,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 |
Bioorg Med Chem Lett 19: 644-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50226107
(CHEMBL400213 | N-(2-aminophenyl)-4-((2-methyl-4-ox...)Show SMILES Cc1nc2ccccc2c(=O)n1Cc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C23H20N4O2/c1-15-25-20-8-4-2-6-18(20)23(29)27(15)14-16-10-12-17(13-11-16)22(28)26-21-9-5-3-7-19(21)24/h2-13H,14,24H2,1H3,(H,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 expressed in insect Sf9 cells |
Bioorg Med Chem Lett 17: 6729-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.050
BindingDB Entry DOI: 10.7270/Q2V124J9 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19414
(N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{[(3,4-dimet...)Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2cccs2)cc1OC Show InChI InChI=1S/C26H25N3O3S/c1-31-23-12-10-20(15-24(23)32-2)28-16-17-5-7-18(8-6-17)26(30)29-22-14-19(9-11-21(22)27)25-4-3-13-33-25/h3-15,28H,16,27H2,1-2H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | 8.0 | 37 |
MethylGene Inc
| Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... |
J Med Chem 50: 5543-6 (2007)
Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50373673
(CHEMBL258297)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(NC3Cc4ccccc4C3)nc(n2)N2CCOCC2)cc1 Show InChI InChI=1S/C30H32N8O2/c31-25-7-3-4-8-26(25)34-27(39)21-11-9-20(10-12-21)19-32-28-35-29(37-30(36-28)38-13-15-40-16-14-38)33-24-17-22-5-1-2-6-23(22)18-24/h1-12,24H,13-19,31H2,(H,34,39)(H2,32,33,35,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 |
Bioorg Med Chem Lett 18: 1067-71 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50255424
(CHEMBL481998 | N-(2-aminophenyl)-4-((4-(4-(morphol...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2ccc(CN3CCOCC3)cc2)cc1 Show InChI InChI=1S/C29H30N6O2/c30-25-3-1-2-4-27(25)33-28(36)24-11-5-21(6-12-24)19-32-29-31-14-13-26(34-29)23-9-7-22(8-10-23)20-35-15-17-37-18-16-35/h1-14H,15-20,30H2,(H,33,36)(H,31,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 |
Bioorg Med Chem Lett 19: 644-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50232655
(4-((1H-benzo[d]imidazol-2-ylthio)methyl)-N-(2-amin...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C21H18N4OS/c22-16-5-1-2-6-17(16)23-20(26)15-11-9-14(10-12-15)13-27-21-24-18-7-3-4-8-19(18)25-21/h1-12H,13,22H2,(H,23,26)(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 |
Bioorg Med Chem Lett 18: 1502-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50226117
(CHEMBL396444 | N-(2-aminophenyl)-4-((4-oxochroman-...)Show InChI InChI=1S/C23H20N2O3/c24-19-6-2-3-7-20(19)25-23(27)16-11-9-15(10-12-16)13-17-14-28-21-8-4-1-5-18(21)22(17)26/h1-12,17H,13-14,24H2,(H,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 expressed in insect Sf9 cells |
Bioorg Med Chem Lett 17: 6729-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.050
BindingDB Entry DOI: 10.7270/Q2V124J9 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50255263
(CHEMBL480026 | N-(2-aminophenyl)-4-((4-(6-(methylt...)Show SMILES CSc1ccc(cn1)-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C24H22N6OS/c1-32-22-11-10-18(15-27-22)20-12-13-26-24(30-20)28-14-16-6-8-17(9-7-16)23(31)29-21-5-3-2-4-19(21)25/h2-13,15H,14,25H2,1H3,(H,29,31)(H,26,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 |
Bioorg Med Chem Lett 19: 644-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50255917
(CHEMBL480923 | N-(2-aminophenyl)-4-((3-(pyridin-3-...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2cccc(c2)-c2cccnc2)cc1 Show InChI InChI=1S/C25H22N4O/c26-23-8-1-2-9-24(23)29-25(30)19-12-10-18(11-13-19)16-28-22-7-3-5-20(15-22)21-6-4-14-27-17-21/h1-15,17,28H,16,26H2,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 |
Bioorg Med Chem Lett 19: 644-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19412
(CHEMBL235674 | benzamide-type inhibitor, 4 | pyrid...)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1cccs1 Show InChI InChI=1S/C25H22N4O3S/c26-21-10-9-20(23-4-2-12-33-23)13-22(21)29-24(30)19-7-5-17(6-8-19)15-28-25(31)32-16-18-3-1-11-27-14-18/h1-14H,15-16,26H2,(H,28,31)(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | 8.0 | 37 |
MethylGene Inc
| Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... |
J Med Chem 50: 5543-6 (2007)
Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50373694
(CHEMBL271852)Show InChI InChI=1S/C19H17FN4O/c20-17-6-3-7-18(24-17)22-12-13-8-10-14(11-9-13)19(25)23-16-5-2-1-4-15(16)21/h1-11H,12,21H2,(H,22,24)(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 |
Bioorg Med Chem Lett 18: 1067-71 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19423
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
| Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... |
J Med Chem 50: 5543-6 (2007)
Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50226112
(CHEMBL400419 | N-(2-aminophenyl)-4-((2,4-dioxo-2H-...)Show SMILES Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)oc3ccccc3c2=O)cc1 Show InChI InChI=1S/C22H17N3O4/c23-17-6-2-3-7-18(17)24-20(26)15-11-9-14(10-12-15)13-25-21(27)16-5-1-4-8-19(16)29-22(25)28/h1-12H,13,23H2,(H,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 expressed in insect Sf9 cells |
Bioorg Med Chem Lett 17: 6729-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.050
BindingDB Entry DOI: 10.7270/Q2V124J9 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50226115
(CHEMBL239625 | N-(2-aminophenyl)-4-((1-oxoisoindol...)Show InChI InChI=1S/C22H19N3O2/c23-19-7-3-4-8-20(19)24-21(26)16-11-9-15(10-12-16)13-25-14-17-5-1-2-6-18(17)22(25)27/h1-12H,13-14,23H2,(H,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 expressed in insect Sf9 cells |
Bioorg Med Chem Lett 17: 6729-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.050
BindingDB Entry DOI: 10.7270/Q2V124J9 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50226116
(4-((1-(4-methoxybenzyl)-2,4-dioxo-1,2-dihydroquina...)Show SMILES COc1ccc(Cn2c3ccccc3c(=O)n(Cc3ccc(cc3)C(=O)Nc3ccccc3N)c2=O)cc1 Show InChI InChI=1S/C30H26N4O4/c1-38-23-16-12-21(13-17-23)18-33-27-9-5-2-6-24(27)29(36)34(30(33)37)19-20-10-14-22(15-11-20)28(35)32-26-8-4-3-7-25(26)31/h2-17H,18-19,31H2,1H3,(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 expressed in insect Sf9 cells |
Bioorg Med Chem Lett 17: 6729-33 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.050
BindingDB Entry DOI: 10.7270/Q2V124J9 |
More data for this
Ligand-Target Pair | |
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