Found 243 hits with Last Name = 'marson' and Initial = 'cm' 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)) | BDBM50196604
(CHEMBL217083 | N-hydroxy-7-(naphthalen-2-yloxy)hep...)Show InChI InChI=1S/C17H21NO3/c19-17(18-20)9-3-1-2-6-12-21-16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,20H,1-3,6,9,12H2,(H,18,19) | 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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source |
Bioorg Med Chem Lett 17: 136-41 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50196608
(7-(4-((4-chlorobenzyl)(methyl)amino)phenoxy)-N-hyd...)Show InChI InChI=1S/C21H27ClN2O3/c1-24(16-17-7-9-18(22)10-8-17)19-11-13-20(14-12-19)27-15-5-3-2-4-6-21(25)23-26/h7-14,26H,2-6,15-16H2,1H3,(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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source |
Bioorg Med Chem Lett 17: 136-41 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50196600
(7-(1H-indol-5-yloxy)-N-hydroxyheptanamide | CHEMBL...)Show InChI InChI=1S/C15H20N2O3/c18-15(17-19)5-3-1-2-4-10-20-13-6-7-14-12(11-13)8-9-16-14/h6-9,11,16,19H,1-5,10H2,(H,17,18) | 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 | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source |
Bioorg Med Chem Lett 17: 136-41 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50005711
(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
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| PDB PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract |
Bioorg Med Chem Lett 14: 2477-81 (2004)
BindingDB Entry DOI: 10.7270/Q2S184Q6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113971
(CHEMBL3605506)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50196598
(7-(4-(3-(1H-indol-3-yl)prop-1-en-2-ylamino)phenyl1...)Show SMILES CC(Cc1c[nH]c2ccccc12)=Nc1ccc(OCCCCCCC(=O)NO)cc1 |w:12.14| Show InChI InChI=1S/C24H29N3O3/c1-18(16-19-17-25-23-9-6-5-8-22(19)23)26-20-11-13-21(14-12-20)30-15-7-3-2-4-10-24(28)27-29/h5-6,8-9,11-14,17,25,29H,2-4,7,10,15-16H2,1H3,(H,27,28) | 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 | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source |
Bioorg Med Chem Lett 17: 136-41 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113963
(CHEMBL3605502)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@H](O2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H22N4O2/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437812
(CHEMBL2407723)Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2NC[C@@H](S2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437809
(CHEMBL2407717)Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](CS2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50196605
(7-(4-(2-(1H-indol-3-yl)acetamido)phenyl1H-indol-3-...)Show SMILES ONC(=O)CCCCCCOc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C23H27N3O4/c27-22(26-29)9-3-1-2-6-14-30-19-12-10-18(11-13-19)25-23(28)15-17-16-24-21-8-5-4-7-20(17)21/h4-5,7-8,10-13,16,24,29H,1-3,6,9,14-15H2,(H,25,28)(H,26,27) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source |
Bioorg Med Chem Lett 17: 136-41 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50196603
(7-(4-(2-(1H-indol-3-yl)acetamido)-2-fluorophenyl1H...)Show SMILES ONC(=O)CCCCCCOc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1F Show InChI InChI=1S/C23H26FN3O4/c24-19-14-17(10-11-21(19)31-12-6-2-1-3-9-22(28)27-30)26-23(29)13-16-15-25-20-8-5-4-7-18(16)20/h4-5,7-8,10-11,14-15,25,30H,1-3,6,9,12-13H2,(H,26,29)(H,27,28) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source |
Bioorg Med Chem Lett 17: 136-41 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ |
More data for this Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437821
(CHEMBL2407736)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(c(O)[nH]2)-c2ccccc2)cc1 Show InChI InChI=1S/C23H21N5O2/c24-18-8-4-5-9-19(18)26-21(29)17-12-10-15(11-13-17)14-25-23-27-20(22(30)28-23)16-6-2-1-3-7-16/h1-13,30H,14,24H2,(H,26,29)(H2,25,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50196594
(7-(4-((1H-indol-5-yl)methylamino)phenyl1H-indol-5-...)Show InChI InChI=1S/C22H27N3O3/c26-22(25-27)5-3-1-2-4-14-28-20-9-7-19(8-10-20)24-16-17-6-11-21-18(15-17)12-13-23-21/h6-13,15,23-24,27H,1-5,14,16H2,(H,25,26) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source |
Bioorg Med Chem Lett 17: 136-41 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50196597
(CHEMBL384714 | N-hydroxy-7-(4-(methyl(pyridin-4-yl...)Show InChI InChI=1S/C20H27N3O3/c1-23(16-17-11-13-21-14-12-17)18-7-9-19(10-8-18)26-15-5-3-2-4-6-20(24)22-25/h7-14,25H,2-6,15-16H2,1H3,(H,22,24) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source |
Bioorg Med Chem Lett 17: 136-41 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113960
(CHEMBL3605415)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CN2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H23N5O/c24-19-8-4-5-9-20(19)27-22(29)18-12-10-16(11-13-18)14-25-23-26-15-21(28-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,27,29)(H2,25,26,28)/t21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437816
(CHEMBL2407719)Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](CS2)c2ccc(O)cc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4O2S/c24-19-3-1-2-4-20(19)26-22(29)17-7-5-15(6-8-17)13-25-23-27-21(14-30-23)16-9-11-18(28)12-10-16/h1-12,21,28H,13-14,24H2,(H,25,27)(H,26,29)/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50196609
(7-(4-(3-(1H-indol-3-yl)propanamido)phenyl1H-indol-...)Show SMILES ONC(=O)CCCCCCOc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C24H29N3O4/c28-23(15-10-18-17-25-22-8-5-4-7-21(18)22)26-19-11-13-20(14-12-19)31-16-6-2-1-3-9-24(29)27-30/h4-5,7-8,11-14,17,25,30H,1-3,6,9-10,15-16H2,(H,26,28)(H,27,29) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source |
Bioorg Med Chem Lett 17: 136-41 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50196607
(7-(4-(3-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)prop...)Show SMILES ONC(=O)CCCCCCOc1ccc(cc1)N(Cc1ccncc1)C(=O)CCc1c[nH]c2ccccc12 Show InChI InChI=1S/C30H34N4O4/c35-29(33-37)9-3-1-2-6-20-38-26-13-11-25(12-14-26)34(22-23-16-18-31-19-17-23)30(36)15-10-24-21-32-28-8-5-4-7-27(24)28/h4-5,7-8,11-14,16-19,21,32,37H,1-3,6,9-10,15,20,22H2,(H,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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source |
Bioorg Med Chem Lett 17: 136-41 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113964
(CHEMBL3605508)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](Cc3c[nH]cn3)CO2)cc1 |r,t:17| Show InChI InChI=1S/C21H22N6O2/c22-18-3-1-2-4-19(18)27-20(28)15-7-5-14(6-8-15)10-24-21-26-17(12-29-21)9-16-11-23-13-25-16/h1-8,11,13,17H,9-10,12,22H2,(H,23,25)(H,24,26)(H,27,28)/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113969
(CHEMBL3605499)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CO2)c2ccc(O)cc2)cc1 |r,t:17| Show InChI InChI=1S/C23H22N4O3/c24-19-3-1-2-4-20(19)26-22(29)17-7-5-15(6-8-17)13-25-23-27-21(14-30-23)16-9-11-18(28)12-10-16/h1-12,21,28H,13-14,24H2,(H,25,27)(H,26,29)/t21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50196602
(7-(4-(dimethylamino)phenoxy)-N-hydroxyheptanamide ...)Show InChI InChI=1S/C15H24N2O3/c1-17(2)13-8-10-14(11-9-13)20-12-6-4-3-5-7-15(18)16-19/h8-11,19H,3-7,12H2,1-2H3,(H,16,18) | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source |
Bioorg Med Chem Lett 17: 136-41 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113954
(CHEMBL3605507)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](Cc3c[nH]cn3)CO2)cc1 |r,t:17| Show InChI InChI=1S/C21H22N6O2/c22-18-3-1-2-4-19(18)27-20(28)15-7-5-14(6-8-15)10-24-21-26-17(12-29-21)9-16-11-23-13-25-16/h1-8,11,13,17H,9-10,12,22H2,(H,23,25)(H,24,26)(H,27,28)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM24624
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29) | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo... |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM24624
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50196593
(CHEMBL387042 | N-hydroxy-7-(4-((3-hydroxy-5-(hydro...)Show InChI InChI=1S/C21H29N3O5/c1-15-21(27)19(16(14-25)12-22-15)13-23-17-7-9-18(10-8-17)29-11-5-3-2-4-6-20(26)24-28/h7-10,12,23,25,27-28H,2-6,11,13-14H2,1H3,(H,24,26) | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source |
Bioorg Med Chem Lett 17: 136-41 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50196596
(8-(4-(2-(1H-indol-3-yl)acetamido)phenyl1H-indol-3-...)Show SMILES ONC(=O)CCCCCCCOc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C24H29N3O4/c28-23(27-30)10-4-2-1-3-7-15-31-20-13-11-19(12-14-20)26-24(29)16-18-17-25-22-9-6-5-8-21(18)22/h5-6,8-9,11-14,17,25,30H,1-4,7,10,15-16H2,(H,26,29)(H,27,28) | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source |
Bioorg Med Chem Lett 17: 136-41 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50196601
(CHEMBL217778 | N-hydroxy-7-(4-(4-methoxyphenylsulf...)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(OCCCCCCC(=O)NO)cc1 Show InChI InChI=1S/C20H26N2O6S/c1-27-17-11-13-19(14-12-17)29(25,26)22-16-7-9-18(10-8-16)28-15-5-3-2-4-6-20(23)21-24/h7-14,22,24H,2-6,15H2,1H3,(H,21,23) | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source |
Bioorg Med Chem Lett 17: 136-41 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ |
More data for this Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437813
(CHEMBL2407722)Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2NC[C@H](S2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50196606
(7-(4-(2-(1H-indol-3-yl)acetamido)-3-fluorophenyl1H...)Show SMILES ONC(=O)CCCCCCOc1ccc(NC(=O)Cc2c[nH]c3ccccc23)c(F)c1 Show InChI InChI=1S/C23H26FN3O4/c24-19-14-17(31-12-6-2-1-3-9-22(28)27-30)10-11-21(19)26-23(29)13-16-15-25-20-8-5-4-7-18(16)20/h4-5,7-8,10-11,14-15,25,30H,1-3,6,9,12-13H2,(H,26,29)(H,27,28) | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source |
Bioorg Med Chem Lett 17: 136-41 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113967
(CHEMBL3605497)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2cccc(F)c2)cc1 |t:17| Show InChI InChI=1S/C23H21FN4O2/c24-18-5-3-4-17(12-18)21-14-30-23(28-21)26-13-15-8-10-16(11-9-15)22(29)27-20-7-2-1-6-19(20)25/h1-12,21H,13-14,25H2,(H,26,28)(H,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437822
(CHEMBL2407735)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(O)c(Cc3ccccc3)[nH]2)cc1 Show InChI InChI=1S/C24H23N5O2/c25-19-8-4-5-9-20(19)27-22(30)18-12-10-17(11-13-18)15-26-24-28-21(23(31)29-24)14-16-6-2-1-3-7-16/h1-13,31H,14-15,25H2,(H,27,30)(H2,26,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113972
(CHEMBL3605500)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CO2)c2cccnc2)cc1 |r,t:17| Show InChI InChI=1S/C22H21N5O2/c23-18-5-1-2-6-19(18)26-21(28)16-9-7-15(8-10-16)12-25-22-27-20(14-29-22)17-4-3-11-24-13-17/h1-11,13,20H,12,14,23H2,(H,25,27)(H,26,28)/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437827
(CHEMBL2407730)Show InChI InChI=1S/C17H15N5O2/c23-16(22-24)13-5-3-12(4-6-13)10-20-17-19-9-7-15(21-17)14-2-1-8-18-11-14/h1-9,11,24H,10H2,(H,22,23)(H,19,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113962
(CHEMBL3605495)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](CO2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H22N4O2/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113968
(CHEMBL3605498)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2ccc(cc2)C(F)(F)F)cc1 |t:17| Show InChI InChI=1S/C24H21F3N4O2/c25-24(26,27)18-11-9-16(10-12-18)21-14-33-23(31-21)29-13-15-5-7-17(8-6-15)22(32)30-20-4-2-1-3-19(20)28/h1-12,21H,13-14,28H2,(H,29,31)(H,30,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113966
(CHEMBL3605496)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2ccc(F)cc2)cc1 |t:17| Show InChI InChI=1S/C23H21FN4O2/c24-18-11-9-16(10-12-18)21-14-30-23(28-21)26-13-15-5-7-17(8-6-15)22(29)27-20-4-2-1-3-19(20)25/h1-12,21H,13-14,25H2,(H,26,28)(H,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113953
(CHEMBL3605503)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@@H](O2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H22N4O2/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437814
(CHEMBL2407721)Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](Cc3ccccc3)CS2)cc1 |r,w:15.15| Show InChI InChI=1S/C24H24N4OS/c25-21-8-4-5-9-22(21)28-23(29)19-12-10-18(11-13-19)15-26-24-27-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,26,27)(H,28,29)/t20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113959
(CHEMBL3605416)Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CN2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)15-29-23-25-14-21(27-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113965
(CHEMBL3605494)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CO2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H22N4O2/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia 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 |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Rattus norvegicus) | BDBM50475567
(6-Benzenesulfonylhexanoic Acid Hydroxamide | CHEMB...)Show InChI InChI=1S/C12H17NO4S/c14-12(13-15)9-5-2-6-10-18(16,17)11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14) | UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of HDAC in rat liver homogenate |
J Med Chem 49: 800-5 (2006)
Article DOI: 10.1021/jm051010j BindingDB Entry DOI: 10.7270/Q2JW8HN9 |
More data for this Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437826
(CHEMBL2407731)Show SMILES CC(C)(C)OC(=O)n1c(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(O)c1Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C31H32N6O4/c1-31(2,3)41-30(40)37-26(16-21-18-33-24-10-6-4-8-22(21)24)28(39)36-29(37)34-17-19-12-14-20(15-13-19)27(38)35-25-11-7-5-9-23(25)32/h4-15,18,33,39H,16-17,32H2,1-3H3,(H,34,36)(H,35,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113958
(CHEMBL3605501)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](Cc3ccccc3)CO2)cc1 |r,t:17| Show InChI InChI=1S/C24H24N4O2/c25-21-8-4-5-9-22(21)28-23(29)19-12-10-18(11-13-19)15-26-24-27-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,26,27)(H,28,29)/t20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM24624
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50223405
(CHEMBL316183)Show SMILES C\C(\C=C\C(=O)NO)=C/c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C18H17ClN2O4S/c1-13(2-11-18(22)20-23)12-14-3-7-16(8-4-14)21-26(24,25)17-9-5-15(19)6-10-17/h2-12,21,23H,1H3,(H,20,22)/b11-2+,13-12+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract |
Bioorg Med Chem Lett 14: 2477-81 (2004)
BindingDB Entry DOI: 10.7270/Q2S184Q6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50196595
(6-(4-(2-(1H-indol-3-yl)acetamido)phenyl1H-indol-3-...)Show SMILES ONC(=O)CCCCCOc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C22H25N3O4/c26-21(25-28)8-2-1-5-13-29-18-11-9-17(10-12-18)24-22(27)14-16-15-23-20-7-4-3-6-19(16)20/h3-4,6-7,9-12,15,23,28H,1-2,5,8,13-14H2,(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
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source |
Bioorg Med Chem Lett 17: 136-41 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ |
More data for this Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437815
(CHEMBL2407720)Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@@H](Cc3ccccc3)CS2)cc1 |r,w:15.15| Show InChI InChI=1S/C24H24N4OS/c25-21-8-4-5-9-22(21)28-23(29)19-12-10-18(11-13-19)15-26-24-27-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,26,27)(H,28,29)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113970
(CHEMBL3605504)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)(c2ccccc2)c2ccccc2)cc1 |t:17| Show InChI InChI=1S/C29H26N4O2/c30-25-13-7-8-14-26(25)32-27(34)22-17-15-21(16-18-22)19-31-28-33-29(20-35-28,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-18H,19-20,30H2,(H,31,33)(H,32,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113957
(CHEMBL3605492)Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CO2)c2cccnc2)cc1 |r,t:17| Show InChI InChI=1S/C22H20N4O2S/c23-18-5-1-2-6-19(18)25-21(27)16-9-7-15(8-10-16)14-29-22-26-20(13-28-22)17-4-3-11-24-12-17/h1-12,20H,13-14,23H2,(H,25,27)/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545 BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Rattus norvegicus) | BDBM50475570
(6-Benzenesulfinylhexanoic Acid Hydroxamide | CHEMB...)Show InChI InChI=1S/C12H17NO3S/c14-12(13-15)9-5-2-6-10-17(16)11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14) | UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of HDAC in rat liver homogenate |
J Med Chem 49: 800-5 (2006)
Article DOI: 10.1021/jm051010j BindingDB Entry DOI: 10.7270/Q2JW8HN9 |
More data for this Ligand-Target Pair | |