Found 533 hits with Last Name = 'fournel' and Initial = 'm' 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 1
(Homo sapiens (Human)) | BDBM50114813
(8-(4'-Bromo-biphenyl-4-yl)-8-oxo-octanoic acid hyd...)Show InChI InChI=1S/C20H22BrNO3/c21-18-13-11-16(12-14-18)15-7-9-17(10-8-15)19(23)5-3-1-2-4-6-20(24)22-25/h7-14,25H,1-6H2,(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1) |
J Med Chem 45: 2877-85 (2002)
BindingDB Entry DOI: 10.7270/Q29W0DT3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50114835
((E)-8-(biphenyl-4-yl)-N-hydroxy-8-(hydroxyimino)oc...)Show InChI InChI=1S/C20H24N2O3/c23-20(22-25)11-7-2-1-6-10-19(21-24)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-5,8-9,12-15,19,25H,1-2,6-7,10-11H2,(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1) |
J Med Chem 45: 2877-85 (2002)
BindingDB Entry DOI: 10.7270/Q29W0DT3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50114811
(8-Oxo-8-[4-(4-phenyl-piperazin-1-yl)-phenyl]-octan...)Show SMILES ONC(=O)CCCCCCC(=O)c1ccc(cc1)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C24H31N3O3/c28-23(10-6-1-2-7-11-24(29)25-30)20-12-14-22(15-13-20)27-18-16-26(17-19-27)21-8-4-3-5-9-21/h3-5,8-9,12-15,30H,1-2,6-7,10-11,16-19H2,(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
| PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1) |
J Med Chem 45: 2877-85 (2002)
BindingDB Entry DOI: 10.7270/Q29W0DT3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1 |
Bioorg Med Chem Lett 11: 2847-50 (2001)
BindingDB Entry DOI: 10.7270/Q2SF2VF5 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50114816
(8-(biphenyl-4-yl)-N-hydroxy-8-oxooctanamide | 8-Bi...)Show InChI InChI=1S/C20H23NO3/c22-19(10-6-1-2-7-11-20(23)21-24)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-5,8-9,12-15,24H,1-2,6-7,10-11H2,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1) |
J Med Chem 45: 2877-85 (2002)
BindingDB Entry DOI: 10.7270/Q29W0DT3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50114814
(8-Naphthalen-2-yl-8-oxo-octanoic acid hydroxyamide...)Show InChI InChI=1S/C18H21NO3/c20-17(9-3-1-2-4-10-18(21)19-22)16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13,22H,1-4,9-10H2,(H,19,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1) |
J Med Chem 45: 2877-85 (2002)
BindingDB Entry DOI: 10.7270/Q29W0DT3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1) |
J Med Chem 45: 2877-85 (2002)
BindingDB Entry DOI: 10.7270/Q29W0DT3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50114829
((E)-8-Naphthalen-2-yl-oct-7-enoic acid hydroxyamid...)Show InChI InChI=1S/C18H21NO2/c20-18(19-21)11-5-3-1-2-4-8-15-12-13-16-9-6-7-10-17(16)14-15/h4,6-10,12-14,21H,1-3,5,11H2,(H,19,20)/b8-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1) |
J Med Chem 45: 2877-85 (2002)
BindingDB Entry DOI: 10.7270/Q29W0DT3 |
More data for this
Ligand-Target Pair | |
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)) | BDBM50114823
(8-Naphthalen-2-yl-non-8-enoic acid hydroxyamide | ...)Show InChI InChI=1S/C19H23NO2/c1-15(8-4-2-3-5-11-19(21)20-22)17-13-12-16-9-6-7-10-18(16)14-17/h6-7,9-10,12-14,22H,1-5,8,11H2,(H,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1) |
J Med Chem 45: 2877-85 (2002)
BindingDB Entry DOI: 10.7270/Q29W0DT3 |
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 1
(Homo sapiens (Human)) | BDBM50114828
((E)-N-hydroxy-8-(hydroxyimino)-8-(naphthalen-2-yl)...)Show InChI InChI=1S/C18H22N2O3/c21-18(20-23)10-4-2-1-3-9-17(19-22)16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13,17,23H,1-4,9-10H2,(H,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1) |
J Med Chem 45: 2877-85 (2002)
BindingDB Entry DOI: 10.7270/Q29W0DT3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50277188
(CHEMBL473270 | N1-(biphenyl-3-yl)-N8-hydroxyoctane...)Show InChI InChI=1S/C20H24N2O3/c23-19(13-6-1-2-7-14-20(24)22-25)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,25H,1-2,6-7,13-14H2,(H,21,23)(H,22,24) | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry |
Bioorg Med Chem Lett 19: 336-40 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB |
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 6
(Homo sapiens (Human)) | BDBM50277188
(CHEMBL473270 | N1-(biphenyl-3-yl)-N8-hydroxyoctane...)Show InChI InChI=1S/C20H24N2O3/c23-19(13-6-1-2-7-14-20(24)22-25)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,25H,1-2,6-7,13-14H2,(H,21,23)(H,22,24) | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry |
Bioorg Med Chem Lett 19: 336-40 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50114821
(8-Oxo-8-(4-piperidin-1-yl-phenyl)-octanoic acid hy...)Show InChI InChI=1S/C19H28N2O3/c22-18(8-4-1-2-5-9-19(23)20-24)16-10-12-17(13-11-16)21-14-6-3-7-15-21/h10-13,24H,1-9,14-15H2,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1) |
J Med Chem 45: 2877-85 (2002)
BindingDB Entry DOI: 10.7270/Q29W0DT3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50255096
(4-(((R)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m1/s1 | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045
BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50255852
(4-(((R)-3-(4-hydroxybenzyl)-2,3-dihydro-2-oxoquino...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O4/c27-18-11-7-15(8-12-18)13-21-23(29)24-19-3-1-2-4-20(19)26(21)14-16-5-9-17(10-6-16)22(28)25-30/h1-12,21,27,30H,13-14H2,(H,24,29)(H,25,28)/t21-/m1/s1 | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045
BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50255853
(4-(((R)-2,3-dihydro-2-oxo-3-phenethylquinoxalin-4(...)Show SMILES ONC(=O)c1ccc(CN2[C@H](CCc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H23N3O3/c28-23(26-30)19-13-10-18(11-14-19)16-27-21-9-5-4-8-20(21)25-24(29)22(27)15-12-17-6-2-1-3-7-17/h1-11,13-14,22,30H,12,15-16H2,(H,25,29)(H,26,28)/t22-/m1/s1 | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045
BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant histone deacetylase 2 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045
BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50123975
(3-[4-(biphenyl-4-sulfonylamino)-phenyl]-N-hydroxy-...)Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C21H18N2O4S/c24-21(22-25)15-8-16-6-11-19(12-7-16)23-28(26,27)20-13-9-18(10-14-20)17-4-2-1-3-5-17/h1-15,23,25H,(H,22,24)/b15-8+ | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1) |
J Med Chem 46: 820-30 (2003)
Article DOI: 10.1021/jm020377a
BindingDB Entry DOI: 10.7270/Q22V2FG8 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50114826
(8-(4-Methoxy-phenyl)-8-oxo-octanoic acid hydroxyam...)Show InChI InChI=1S/C15H21NO4/c1-20-13-10-8-12(9-11-13)14(17)6-4-2-3-5-7-15(18)16-19/h8-11,19H,2-7H2,1H3,(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1) |
J Med Chem 45: 2877-85 (2002)
BindingDB Entry DOI: 10.7270/Q29W0DT3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045
BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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)) | BDBM50114833
(8-Naphthalen-2-yl-octanoic acid hydroxyamide | CHE...)Show InChI InChI=1S/C18H23NO2/c20-18(19-21)11-5-3-1-2-4-8-15-12-13-16-9-6-7-10-17(16)14-15/h6-7,9-10,12-14,21H,1-5,8,11H2,(H,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1) |
J Med Chem 45: 2877-85 (2002)
BindingDB Entry DOI: 10.7270/Q29W0DT3 |
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)) | 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)) | BDBM50114820
(8-Hydroxy-8-naphthalen-2-yl-octanoic acid hydroxya...)Show InChI InChI=1S/C18H23NO3/c20-17(9-3-1-2-4-10-18(21)19-22)16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13,17,20,22H,1-4,9-10H2,(H,19,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1) |
J Med Chem 45: 2877-85 (2002)
BindingDB Entry DOI: 10.7270/Q29W0DT3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50114827
(7-Naphthalen-2-yl-7-oxo-heptanoic acid hydroxyamid...)Show InChI InChI=1S/C17H19NO3/c19-16(8-2-1-3-9-17(20)18-21)15-11-10-13-6-4-5-7-14(13)12-15/h4-7,10-12,21H,1-3,8-9H2,(H,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1) |
J Med Chem 45: 2877-85 (2002)
BindingDB Entry DOI: 10.7270/Q29W0DT3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50255809
(4-(((R)-3-(3,4-difluorobenzyl)-2,3-dihydro-2-oxoqu...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(F)c(F)c3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H19F2N3O3/c24-17-10-7-15(11-18(17)25)12-21-23(30)26-19-3-1-2-4-20(19)28(21)13-14-5-8-16(9-6-14)22(29)27-31/h1-11,21,31H,12-13H2,(H,26,30)(H,27,29)/t21-/m1/s1 | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045
BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50255854
((R)-tert-butyl 4-(1-(4-(hydroxycarbamoyl)benzyl)-3...)Show SMILES CC(C)(C)OC(=O)NCCCC[C@H]1N(Cc2ccc(cc2)C(=O)NO)c2ccccc2NC1=O |r| Show InChI InChI=1S/C25H32N4O5/c1-25(2,3)34-24(32)26-15-7-6-10-21-23(31)27-19-8-4-5-9-20(19)29(21)16-17-11-13-18(14-12-17)22(30)28-33/h4-5,8-9,11-14,21,33H,6-7,10,15-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,30)/t21-/m1/s1 | 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 histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045
BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this
Ligand-Target Pair | |
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)) | 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)) | BDBM50123955
(3-[4-(Dibenzofuran-1-sulfonylamino)-phenyl]-N-hydr...)Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2cccc3oc4ccccc4c23)cc1 Show InChI InChI=1S/C21H16N2O5S/c24-20(22-25)13-10-14-8-11-15(12-9-14)23-29(26,27)19-7-3-6-18-21(19)16-4-1-2-5-17(16)28-18/h1-13,23,25H,(H,22,24)/b13-10+ | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1) |
J Med Chem 46: 820-30 (2003)
Article DOI: 10.1021/jm020377a
BindingDB Entry DOI: 10.7270/Q22V2FG8 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50123967
(3-[4-(Biphenyl-4-ylsulfamoyl)-phenyl]-N-hydroxy-ac...)Show SMILES ONC(=O)\C=C\c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H18N2O4S/c24-21(22-25)15-8-16-6-13-20(14-7-16)28(26,27)23-19-11-9-18(10-12-19)17-4-2-1-3-5-17/h1-15,23,25H,(H,22,24)/b15-8+ | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1) |
J Med Chem 46: 820-30 (2003)
Article DOI: 10.1021/jm020377a
BindingDB Entry DOI: 10.7270/Q22V2FG8 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50255914
(4-(((R)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...)Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m1/s1 | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045
BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50114817
(8-(4-Bromo-phenyl)-8-oxo-octanoic acid hydroxyamid...)Show InChI InChI=1S/C14H18BrNO3/c15-12-9-7-11(8-10-12)13(17)5-3-1-2-4-6-14(18)16-19/h7-10,19H,1-6H2,(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1) |
J Med Chem 45: 2877-85 (2002)
BindingDB Entry DOI: 10.7270/Q29W0DT3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50114812
(8-Oxo-8-(4-trifluoromethyl-phenyl)-octanoic acid h...)Show InChI InChI=1S/C15H18F3NO3/c16-15(17,18)12-9-7-11(8-10-12)13(20)5-3-1-2-4-6-14(21)19-22/h7-10,22H,1-6H2,(H,19,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1) |
J Med Chem 45: 2877-85 (2002)
BindingDB Entry DOI: 10.7270/Q29W0DT3 |
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)) | BDBM50123958
(3-[4-(3,4-Dimethoxy-phenylsulfamoyl)-phenyl]-N-hyd...)Show SMILES COc1ccc(NS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1OC Show InChI InChI=1S/C17H18N2O6S/c1-24-15-9-6-13(11-16(15)25-2)19-26(22,23)14-7-3-12(4-8-14)5-10-17(20)18-21/h3-11,19,21H,1-2H3,(H,18,20)/b10-5+ | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1) |
J Med Chem 46: 820-30 (2003)
Article DOI: 10.1021/jm020377a
BindingDB Entry DOI: 10.7270/Q22V2FG8 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50123970
(CHEMBL168961 | N-Hydroxy-3-[4-(naphthalene-1-sulfo...)Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1 Show InChI InChI=1S/C19H16N2O4S/c22-19(20-23)13-10-14-8-11-16(12-9-14)21-26(24,25)18-7-3-5-15-4-1-2-6-17(15)18/h1-13,21,23H,(H,20,22)/b13-10+ | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1) |
J Med Chem 46: 820-30 (2003)
Article DOI: 10.1021/jm020377a
BindingDB Entry DOI: 10.7270/Q22V2FG8 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50114830
(8-Oxo-8-thiophen-2-yl-octanoic acid hydroxyamide |...)Show InChI InChI=1S/C12H17NO3S/c14-10(11-7-5-9-17-11)6-3-1-2-4-8-12(15)13-16/h5,7,9,16H,1-4,6,8H2,(H,13,15) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| 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 against partially purified human histone deacetylase 1 (HDAC-1) |
J Med Chem 45: 2877-85 (2002)
BindingDB Entry DOI: 10.7270/Q29W0DT3 |
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 6
(Homo sapiens (Human)) | BDBM50255910
(4-(((R)-3-(4-tert-butoxybenzyl)-2,3-dihydro-2-oxoq...)Show SMILES CC(C)(C)Oc1ccc(C[C@H]2N(Cc3ccc(cc3)C(=O)NO)c3ccccc3NC2=O)cc1 |r| Show InChI InChI=1S/C27H29N3O4/c1-27(2,3)34-21-14-10-18(11-15-21)16-24-26(32)28-22-6-4-5-7-23(22)30(24)17-19-8-12-20(13-9-19)25(31)29-33/h4-15,24,33H,16-17H2,1-3H3,(H,28,32)(H,29,31)/t24-/m1/s1 | 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 histone deacetylase 6 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045
BindingDB Entry DOI: 10.7270/Q2G44Q5S |
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)) | 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 | |
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