Found 15 hits of Enzyme Inhibition Constant Data 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)) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
CREST Research Project
Curated by ChEMBL
| Assay Description Inhibition of human histone deacetylase 1 prepared from 293T cells |
Bioorg Med Chem Lett 14: 5343-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.016 BindingDB Entry DOI: 10.7270/Q2222VJ6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(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
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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
CREST Research Project
Curated by ChEMBL
| Assay Description Inhibition of human histone deacetylase 4 prepared from 293T cells |
Bioorg Med Chem Lett 14: 5343-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.016 BindingDB Entry DOI: 10.7270/Q2222VJ6 |
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 |
CREST Research Project
Curated by ChEMBL
| Assay Description Inhibition of human histone deacetylase 6 prepared from 293T cells |
Bioorg Med Chem Lett 14: 5343-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.016 BindingDB Entry DOI: 10.7270/Q2222VJ6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
CREST Research Project
Curated by ChEMBL
| Assay Description Inhibition of human histone deacetylase 8 prepared from 293T cells |
Bioorg Med Chem Lett 14: 5343-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.016 BindingDB Entry DOI: 10.7270/Q2222VJ6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50153767
((5S,8R,11S,13aR)-5-sec-Butyl-8-(4-methoxy-benzyl)-...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCSCC(=O)C(F)(F)F)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C30H41F3N4O6S/c1-4-18(2)25-29(42)37-14-7-9-23(37)28(41)34-21(8-5-6-15-44-17-24(38)30(31,32)33)26(39)35-22(27(40)36-25)16-19-10-12-20(43-3)13-11-19/h10-13,18,21-23,25H,4-9,14-17H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)/t18?,21-,22+,23+,25-/m0/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 |
CREST Research Project
Curated by ChEMBL
| Assay Description Inhibition of human histone deacetylase 1 prepared from 293T cells |
Bioorg Med Chem Lett 14: 5343-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.016 BindingDB Entry DOI: 10.7270/Q2222VJ6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50153767
((5S,8R,11S,13aR)-5-sec-Butyl-8-(4-methoxy-benzyl)-...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCSCC(=O)C(F)(F)F)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C30H41F3N4O6S/c1-4-18(2)25-29(42)37-14-7-9-23(37)28(41)34-21(8-5-6-15-44-17-24(38)30(31,32)33)26(39)35-22(27(40)36-25)16-19-10-12-20(43-3)13-11-19/h10-13,18,21-23,25H,4-9,14-17H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)/t18?,21-,22+,23+,25-/m0/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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
CREST Research Project
Curated by ChEMBL
| Assay Description Inhibition of human histone deacetylase 6 prepared from 293T cells |
Bioorg Med Chem Lett 14: 5343-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.016 BindingDB Entry DOI: 10.7270/Q2222VJ6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50153767
((5S,8R,11S,13aR)-5-sec-Butyl-8-(4-methoxy-benzyl)-...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCSCC(=O)C(F)(F)F)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C30H41F3N4O6S/c1-4-18(2)25-29(42)37-14-7-9-23(37)28(41)34-21(8-5-6-15-44-17-24(38)30(31,32)33)26(39)35-22(27(40)36-25)16-19-10-12-20(43-3)13-11-19/h10-13,18,21-23,25H,4-9,14-17H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)/t18?,21-,22+,23+,25-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
CREST Research Project
Curated by ChEMBL
| Assay Description Inhibition of human histone deacetylase 4 prepared from 293T cells |
Bioorg Med Chem Lett 14: 5343-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.016 BindingDB Entry DOI: 10.7270/Q2222VJ6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50153767
((5S,8R,11S,13aR)-5-sec-Butyl-8-(4-methoxy-benzyl)-...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCSCC(=O)C(F)(F)F)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C30H41F3N4O6S/c1-4-18(2)25-29(42)37-14-7-9-23(37)28(41)34-21(8-5-6-15-44-17-24(38)30(31,32)33)26(39)35-22(27(40)36-25)16-19-10-12-20(43-3)13-11-19/h10-13,18,21-23,25H,4-9,14-17H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)/t18?,21-,22+,23+,25-/m0/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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
CREST Research Project
Curated by ChEMBL
| Assay Description Inhibition of human histone deacetylase 8 prepared from 293T cells |
Bioorg Med Chem Lett 14: 5343-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.016 BindingDB Entry DOI: 10.7270/Q2222VJ6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50153766
((5S,8R,11S,13aR)-5-sec-Butyl-8-(4-methoxy-benzyl)-...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)C(F)(F)F)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C30H41F3N4O6/c1-4-18(2)25-29(42)37-16-8-10-23(37)28(41)34-21(9-6-5-7-11-24(38)30(31,32)33)26(39)35-22(27(40)36-25)17-19-12-14-20(43-3)15-13-19/h12-15,18,21-23,25H,4-11,16-17H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)/t18?,21-,22+,23+,25-/m0/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 | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
CREST Research Project
Curated by ChEMBL
| Assay Description Inhibition of human histone deacetylase 8 prepared from 293T cells |
Bioorg Med Chem Lett 14: 5343-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.016 BindingDB Entry DOI: 10.7270/Q2222VJ6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50153766
((5S,8R,11S,13aR)-5-sec-Butyl-8-(4-methoxy-benzyl)-...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)C(F)(F)F)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C30H41F3N4O6/c1-4-18(2)25-29(42)37-16-8-10-23(37)28(41)34-21(9-6-5-7-11-24(38)30(31,32)33)26(39)35-22(27(40)36-25)17-19-12-14-20(43-3)15-13-19/h12-15,18,21-23,25H,4-11,16-17H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)/t18?,21-,22+,23+,25-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
CREST Research Project
Curated by ChEMBL
| Assay Description Inhibition of human histone deacetylase 4 prepared from 293T cells |
Bioorg Med Chem Lett 14: 5343-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.016 BindingDB Entry DOI: 10.7270/Q2222VJ6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50153766
((5S,8R,11S,13aR)-5-sec-Butyl-8-(4-methoxy-benzyl)-...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)C(F)(F)F)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C30H41F3N4O6/c1-4-18(2)25-29(42)37-16-8-10-23(37)28(41)34-21(9-6-5-7-11-24(38)30(31,32)33)26(39)35-22(27(40)36-25)17-19-12-14-20(43-3)15-13-19/h12-15,18,21-23,25H,4-11,16-17H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)/t18?,21-,22+,23+,25-/m0/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 | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
CREST Research Project
Curated by ChEMBL
| Assay Description Inhibition of human histone deacetylase 1 prepared from 293T cells |
Bioorg Med Chem Lett 14: 5343-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.016 BindingDB Entry DOI: 10.7270/Q2222VJ6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50153765
((5S,8R,11S,13aR)-5-sec-Butyl-8-(4-methoxy-benzyl)-...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)C(F)(F)C(F)(F)F)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C31H41F5N4O6/c1-4-18(2)25-29(45)40-16-8-10-23(40)28(44)37-21(9-6-5-7-11-24(41)30(32,33)31(34,35)36)26(42)38-22(27(43)39-25)17-19-12-14-20(46-3)15-13-19/h12-15,18,21-23,25H,4-11,16-17H2,1-3H3,(H,37,44)(H,38,42)(H,39,43)/t18?,21-,22+,23+,25-/m0/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 | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
CREST Research Project
Curated by ChEMBL
| Assay Description Inhibition of human histone deacetylase 8 prepared from 293T cells |
Bioorg Med Chem Lett 14: 5343-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.016 BindingDB Entry DOI: 10.7270/Q2222VJ6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50153765
((5S,8R,11S,13aR)-5-sec-Butyl-8-(4-methoxy-benzyl)-...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)C(F)(F)C(F)(F)F)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C31H41F5N4O6/c1-4-18(2)25-29(45)40-16-8-10-23(40)28(44)37-21(9-6-5-7-11-24(41)30(32,33)31(34,35)36)26(42)38-22(27(43)39-25)17-19-12-14-20(46-3)15-13-19/h12-15,18,21-23,25H,4-11,16-17H2,1-3H3,(H,37,44)(H,38,42)(H,39,43)/t18?,21-,22+,23+,25-/m0/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 | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
CREST Research Project
Curated by ChEMBL
| Assay Description Inhibition of human histone deacetylase 1 prepared from 293T cells |
Bioorg Med Chem Lett 14: 5343-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.016 BindingDB Entry DOI: 10.7270/Q2222VJ6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50153766
((5S,8R,11S,13aR)-5-sec-Butyl-8-(4-methoxy-benzyl)-...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)C(F)(F)F)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C30H41F3N4O6/c1-4-18(2)25-29(42)37-16-8-10-23(37)28(41)34-21(9-6-5-7-11-24(38)30(31,32)33)26(39)35-22(27(40)36-25)17-19-12-14-20(43-3)15-13-19/h12-15,18,21-23,25H,4-11,16-17H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)/t18?,21-,22+,23+,25-/m0/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 | 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CREST Research Project
Curated by ChEMBL
| Assay Description Inhibition of human histone deacetylase 6 prepared from 293T cells |
Bioorg Med Chem Lett 14: 5343-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.016 BindingDB Entry DOI: 10.7270/Q2222VJ6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50153765
((5S,8R,11S,13aR)-5-sec-Butyl-8-(4-methoxy-benzyl)-...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)C(F)(F)C(F)(F)F)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C31H41F5N4O6/c1-4-18(2)25-29(45)40-16-8-10-23(40)28(44)37-21(9-6-5-7-11-24(41)30(32,33)31(34,35)36)26(42)38-22(27(43)39-25)17-19-12-14-20(46-3)15-13-19/h12-15,18,21-23,25H,4-11,16-17H2,1-3H3,(H,37,44)(H,38,42)(H,39,43)/t18?,21-,22+,23+,25-/m0/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 | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CREST Research Project
Curated by ChEMBL
| Assay Description Inhibition of human histone deacetylase 6 prepared from 293T cells |
Bioorg Med Chem Lett 14: 5343-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.016 BindingDB Entry DOI: 10.7270/Q2222VJ6 |
More data for this Ligand-Target Pair | |