Found 232 hits with Last Name = 'cuendet' 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 |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50057527
![PNG](/data/jpeg/tenK5005/BindingDB_50057527.png) (4-(5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C16H11ClF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of COX2 |
J Nat Prod 65: 163-9 (2002)
BindingDB Entry DOI: 10.7270/Q2J38TGV |
More data for this Ligand-Target Pair | |
Histone deacetylase 1/2/3
(Homo sapiens (Human)) | BDBM50005711
![PNG](/data/jpeg/tenK5000/BindingDB_50005711.png) (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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| Article PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2/HDAC3 in human HeLa nuclear extracts using MAL as substrate after 4 hrs by UHPLC-ESI-MS/MS analysis |
Bioorg Med Chem Lett 26: 4955-4959 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50005711
![PNG](/data/jpeg/tenK5000/BindingDB_50005711.png) (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) after 15 mins by fluorescence assay |
Bioorg Med Chem Lett 24: 5497-501 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.019 BindingDB Entry DOI: 10.7270/Q2X3502T |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50005711
![PNG](/data/jpeg/tenK5000/BindingDB_50005711.png) (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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| PDB Article PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human HeLa cell extract after 15 mins by fluorescence assay |
Bioorg Med Chem Lett 24: 5497-501 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.019 BindingDB Entry DOI: 10.7270/Q2X3502T |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50005711
![PNG](/data/jpeg/tenK5000/BindingDB_50005711.png) (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 in human SHSY5Y cells using BATCP as substrate after 8 hrs by UHPLC-ESI-MS/MS analysis |
Bioorg Med Chem Lett 26: 4955-4959 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50005711
![PNG](/data/jpeg/tenK5000/BindingDB_50005711.png) (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) after 15 mins by fluorescence assay |
Bioorg Med Chem Lett 24: 5497-501 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.019 BindingDB Entry DOI: 10.7270/Q2X3502T |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50005711
![PNG](/data/jpeg/tenK5000/BindingDB_50005711.png) (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect cells using BATCP as substrate after 4 hrs by UHPLC-ESI-MS/MS analysis |
Bioorg Med Chem Lett 26: 4955-4959 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50005711
![PNG](/data/jpeg/tenK5000/BindingDB_50005711.png) (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GST-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using MOCPAC as substrate after 4 hrs by UHPLC-ES... |
Bioorg Med Chem Lett 26: 4955-4959 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50005711
![PNG](/data/jpeg/tenK5000/BindingDB_50005711.png) (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human SHSY5Y cells using MOCPAC as substrate after 8 hrs by UHPLC-ESI-MS/MS analysis |
Bioorg Med Chem Lett 26: 4955-4959 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50005711
![PNG](/data/jpeg/tenK5000/BindingDB_50005711.png) (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 (unknown origin) after 15 mins by fluorescence assay |
Bioorg Med Chem Lett 24: 5497-501 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.019 BindingDB Entry DOI: 10.7270/Q2X3502T |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| DrugBank Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells using RHK-K(Ac)-AMC as substrate ... |
Eur J Med Chem 112: 99-105 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.001 BindingDB Entry DOI: 10.7270/Q2HM5BB0 |
More data for this Ligand-Target Pair | |
Histone deacetylase 7
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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Similars
| PDB Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubate... |
Eur J Med Chem 112: 99-105 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.001 BindingDB Entry DOI: 10.7270/Q2HM5BB0 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50380399
![PNG](/data/jpeg/tenK5038/BindingDB_50380399.png) (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect cells using BATCP as substrate after 4 hrs by UHPLC-ESI-MS/MS analysis |
Bioorg Med Chem Lett 26: 4955-4959 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50197083
![PNG](/data/jpeg/tenK5019/BindingDB_50197083.png) (CHEMBL3890846)Show InChI InChI=1S/C13H17NO4/c15-13(14-16)5-3-1-2-4-10-6-7-11-12(8-10)18-9-17-11/h6-8,16H,1-5,9H2,(H,14,15) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect cells using BATCP as substrate after 4 hrs by UHPLC-ESI-MS/MS analysis |
Bioorg Med Chem Lett 26: 4955-4959 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) by fluorimetric assay |
Bioorg Med Chem Lett 26: 154-9 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.011 BindingDB Entry DOI: 10.7270/Q2BK1GCP |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| DrugBank Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) |
Bioorg Med Chem Lett 25: 4457-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.006 BindingDB Entry DOI: 10.7270/Q2BG2QTR |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM8961
![PNG](/data/jpeg/tenK0/BindingDB_8961.png) (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Estadual Paulista (UNESP)
Curated by ChEMBL
| Assay Description Inhibition of Electric eel AChE assessed as amount of thiocholine released using acetylthiocholine iodide as substrate after 6 mins by Ellman's metho... |
J Nat Prod 77: 650-6 (2014)
Article DOI: 10.1021/np401003p BindingDB Entry DOI: 10.7270/Q2DB83BJ |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50380399
![PNG](/data/jpeg/tenK5038/BindingDB_50380399.png) (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 in human SHSY5Y cells using BATCP as substrate after 8 hrs by UHPLC-ESI-MS/MS analysis |
Bioorg Med Chem Lett 26: 4955-4959 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using Fluor de Lys Green as substrate incubated for 30 mins by fluorescence assay |
Eur J Med Chem 112: 99-105 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.001 BindingDB Entry DOI: 10.7270/Q2HM5BB0 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 25: 4457-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.006 BindingDB Entry DOI: 10.7270/Q2BG2QTR |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of HDAC3 (unknown origin) by fluorimetric assay |
Bioorg Med Chem Lett 26: 154-9 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.011 BindingDB Entry DOI: 10.7270/Q2BK1GCP |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human HDAC2 after 40 mins by fluorescence analysis |
Bioorg Med Chem Lett 25: 4457-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.006 BindingDB Entry DOI: 10.7270/Q2BG2QTR |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50197083
![PNG](/data/jpeg/tenK5019/BindingDB_50197083.png) (CHEMBL3890846)Show InChI InChI=1S/C13H17NO4/c15-13(14-16)5-3-1-2-4-10-6-7-11-12(8-10)18-9-17-11/h6-8,16H,1-5,9H2,(H,14,15) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 in human SHSY5Y cells using BATCP as substrate after 8 hrs by UHPLC-ESI-MS/MS analysis |
Bioorg Med Chem Lett 26: 4955-4959 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50256053
![PNG](/data/jpeg/tenK5025/BindingDB_50256053.png) (5-(2-(naphthalen-2-yl)but-1-enyl)benzene-1,3-diol ...)Show InChI InChI=1S/C20H18O2/c1-2-15(9-14-10-19(21)13-20(22)11-14)18-8-7-16-5-3-4-6-17(16)12-18/h3-13,21-22H,2H2,1H3/b15-9+ | PDB
UniProtKB/SwissProt
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| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Inhibition of COX1 |
Bioorg Med Chem 17: 1044-54 (2009)
Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR |
More data for this Ligand-Target Pair | |
Histone deacetylase 1/2/3
(Homo sapiens (Human)) | BDBM50197083
![PNG](/data/jpeg/tenK5019/BindingDB_50197083.png) (CHEMBL3890846)Show InChI InChI=1S/C13H17NO4/c15-13(14-16)5-3-1-2-4-10-6-7-11-12(8-10)18-9-17-11/h6-8,16H,1-5,9H2,(H,14,15) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 188 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2/HDAC3 in human HeLa nuclear extracts using MAL as substrate after 4 hrs by UHPLC-ESI-MS/MS analysis |
Bioorg Med Chem Lett 26: 4955-4959 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubated ... |
Eur J Med Chem 112: 99-105 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.001 BindingDB Entry DOI: 10.7270/Q2HM5BB0 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant C-terminal FLAG-His-tagged HDAC1 (1 to 482 residues) expressed in sf21 cells using RHK-K(Ac)-AMC as subst... |
Eur J Med Chem 112: 99-105 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.001 BindingDB Entry DOI: 10.7270/Q2HM5BB0 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Aromatase
(Homo sapiens (Human)) | BDBM9460
![PNG](/data/jpeg/tenK0/BindingDB_9460.png) (3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Inhibition of human aromatase |
J Med Chem 50: 2799-806 (2007)
Article DOI: 10.1021/jm070109i BindingDB Entry DOI: 10.7270/Q2668F0Z |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human HeLa nuclear extract using BOC-Ac-Lys-AMC as substrate incubated for 90 mins by fluorescence assay |
Eur J Med Chem 112: 99-105 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.001 BindingDB Entry DOI: 10.7270/Q2HM5BB0 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50247221
![PNG](/data/jpeg/tenK5024/BindingDB_50247221.png) (5-(3,4-dimethoxystyryl)benzene-1,3-diol | CHEMBL47...)Show InChI InChI=1S/C16H16O4/c1-19-15-6-5-11(9-16(15)20-2)3-4-12-7-13(17)10-14(18)8-12/h3-10,17-18H,1-2H3/b4-3+ | PDB
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| Article PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Inhibition of COX1 |
Bioorg Med Chem 17: 1044-54 (2009)
Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR |
More data for this Ligand-Target Pair | |
Histone deacetylase 9
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human HDAC9 using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay |
Eur J Med Chem 112: 99-105 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.001 BindingDB Entry DOI: 10.7270/Q2HM5BB0 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) by fluorimetric assay |
Bioorg Med Chem Lett 26: 154-9 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.011 BindingDB Entry DOI: 10.7270/Q2BK1GCP |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant C-terminal His-tagged HDAC3 (1 to 428 residues)/human recombinant N-terminal GST-tagged NCOR2 (395 to 489... |
Eur J Med Chem 112: 99-105 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.001 BindingDB Entry DOI: 10.7270/Q2HM5BB0 |
More data for this Ligand-Target Pair | |
Histone deacetylase 11
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal His-tagged HDAC11 (1 to 347 residues) using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescen... |
Eur J Med Chem 112: 99-105 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.001 BindingDB Entry DOI: 10.7270/Q2HM5BB0 |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | KEGG
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| Article PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal His-tagged HDAC5 (657 to 1123 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubat... |
Eur J Med Chem 112: 99-105 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.001 BindingDB Entry DOI: 10.7270/Q2HM5BB0 |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human HDAC10 using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay |
Eur J Med Chem 112: 99-105 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.001 BindingDB Entry DOI: 10.7270/Q2HM5BB0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50247277
![PNG](/data/jpeg/tenK5024/BindingDB_50247277.png) (4-(1-(4-(trifluoromethyl)phenyl)prop-1-en-2-yl)phe...)Show InChI InChI=1S/C16H13F3O/c1-11(13-4-8-15(20)9-5-13)10-12-2-6-14(7-3-12)16(17,18)19/h2-10,20H,1H3/b11-10+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Inhibition of COX2 |
Bioorg Med Chem 17: 1044-54 (2009)
Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50269597
![PNG](/data/jpeg/tenK5026/BindingDB_50269597.png) (3-(2,3-dihydroxy-3-methylbutyl)resveratrol | CHEMB...)Show SMILES CC(C)(O)[C@H](O)Cc1cc(\C=C\c2cc(O)cc(O)c2)ccc1O |r| Show InChI InChI=1S/C19H22O5/c1-19(2,24)18(23)10-14-7-12(5-6-17(14)22)3-4-13-8-15(20)11-16(21)9-13/h3-9,11,18,20-24H,10H2,1-2H3/b4-3+/t18-/m1/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of COX1 |
J Nat Prod 65: 163-9 (2002)
BindingDB Entry DOI: 10.7270/Q2J38TGV |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal His-tagged, N-terminal GST-tagged HDAC4 (627 to 1084 residues) expressed in insect cells using RHK-K(Ac)-A... |
Eur J Med Chem 112: 99-105 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.001 BindingDB Entry DOI: 10.7270/Q2HM5BB0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50250915
![PNG](/data/jpeg/tenK5025/BindingDB_50250915.png) (CHEMBL512578 | moracin M)Show InChI InChI=1S/C14H10O4/c15-10-2-1-8-5-13(18-14(8)7-10)9-3-11(16)6-12(17)4-9/h1-7,15-17H | PDB
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of COX1 |
J Nat Prod 65: 163-9 (2002)
BindingDB Entry DOI: 10.7270/Q2J38TGV |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19149
![PNG](/data/jpeg/tenK1/BindingDB_19149.png) (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 (unknown origin) by fluorimetric assay |
Bioorg Med Chem Lett 26: 154-9 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.011 BindingDB Entry DOI: 10.7270/Q2BK1GCP |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50197083
![PNG](/data/jpeg/tenK5019/BindingDB_50197083.png) (CHEMBL3890846)Show InChI InChI=1S/C13H17NO4/c15-13(14-16)5-3-1-2-4-10-6-7-11-12(8-10)18-9-17-11/h6-8,16H,1-5,9H2,(H,14,15) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GST-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using MOCPAC as substrate after 4 hrs by UHPLC-ES... |
Bioorg Med Chem Lett 26: 4955-4959 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50161828
![PNG](/data/jpeg/tenK5016/BindingDB_50161828.png) (CHEMBL3793310)Show SMILES Cc1[nH]c2ccccc2c1\C=C\c1ccccc1-c1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C26H22N2O2/c1-18-22(24-8-4-5-9-25(24)27-18)16-15-20-6-2-3-7-23(20)21-13-10-19(11-14-21)12-17-26(29)28-30/h2-17,27,30H,1H3,(H,28,29)/b16-15+,17-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubated ... |
Eur J Med Chem 112: 99-105 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.001 BindingDB Entry DOI: 10.7270/Q2HM5BB0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50269596
![PNG](/data/jpeg/tenK5026/BindingDB_50269596.png) (3-(gamma,gamma-dimethylallyl)resveratrol | CHEMBL4...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\c2cc(-[#8])cc(-[#8])c2)ccc1-[#8] Show InChI InChI=1S/C19H20O3/c1-13(2)3-7-16-9-14(6-8-19(16)22)4-5-15-10-17(20)12-18(21)11-15/h3-6,8-12,20-22H,7H2,1-2H3/b5-4+ | PDB
UniProtKB/SwissProt
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University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of COX1 |
J Nat Prod 65: 163-9 (2002)
BindingDB Entry DOI: 10.7270/Q2J38TGV |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50131688
![PNG](/data/jpeg/tenK5013/BindingDB_50131688.png) ((E)-4-(3,5-dimethoxystyryl)phenol | 3,5-Dimethoxy-...)Show InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+ | PDB
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| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Inhibition of COX1 |
Bioorg Med Chem 17: 1044-54 (2009)
Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50131688
![PNG](/data/jpeg/tenK5013/BindingDB_50131688.png) ((E)-4-(3,5-dimethoxystyryl)phenol | 3,5-Dimethoxy-...)Show InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Inhibition of COX2 |
Bioorg Med Chem 17: 1044-54 (2009)
Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50293360
![PNG](/data/jpeg/tenK5029/BindingDB_50293360.png) (CHEMBL556532 | N-Hydroxy-E-3-(biphenyl-4-yl)-acryl...)Show InChI InChI=1S/C15H13NO2/c17-15(16-18)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-11,18H,(H,16,17)/b11-8+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human HDAC2 after 40 mins by fluorescence analysis |
Bioorg Med Chem Lett 25: 4457-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.006 BindingDB Entry DOI: 10.7270/Q2BG2QTR |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50247271
![PNG](/data/jpeg/tenK5024/BindingDB_50247271.png) (5-(3-fluorostyryl)benzene-1,3-diol | CHEMBL490482)Show InChI InChI=1S/C14H11FO2/c15-12-3-1-2-10(6-12)4-5-11-7-13(16)9-14(17)8-11/h1-9,16-17H/b5-4+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Inhibition of COX2 |
Bioorg Med Chem 17: 1044-54 (2009)
Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM23926
![PNG](/data/jpeg/tenK2/BindingDB_23926.png) ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+ | PDB
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| Article PubMed
| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Inhibition of COX1 |
Bioorg Med Chem 17: 1044-54 (2009)
Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50247230
![PNG](/data/jpeg/tenK5024/BindingDB_50247230.png) (5-(2-(4-(trifluoromethyl)phenyl)prop-1-enyl)benzen...)Show InChI InChI=1S/C16H13F3O2/c1-10(6-11-7-14(20)9-15(21)8-11)12-2-4-13(5-3-12)16(17,18)19/h2-9,20-21H,1H3/b10-6+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Inhibition of COX1 |
Bioorg Med Chem 17: 1044-54 (2009)
Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR |
More data for this Ligand-Target Pair | |