Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50004272 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
(Homo sapiens (Human)) | BDBM16430
![PNG](/data/jpeg/tenK1/BindingDB_16430.png) ((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...)Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ | PDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay |
Bioorg Med Chem 17: 5219-28 (2009)
Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50327036
![PNG](/data/jpeg/tenK5032/BindingDB_50327036.png) ((1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acry...)Show SMILES O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O |r| Show InChI InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 | PDB
KEGG
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| Article PubMed
| 135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay |
Bioorg Med Chem 17: 5219-28 (2009)
Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82 |
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
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| PDB Article PubMed
| 504 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay |
Bioorg Med Chem 17: 5219-28 (2009)
Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50067040
![PNG](/data/jpeg/tenK5006/BindingDB_50067040.png) (((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4| Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3 | PDB
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| Article PubMed
| 539 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay |
Bioorg Med Chem 17: 5219-28 (2009)
Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82 |
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
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| PDB Article PubMed
| 2.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay |
Bioorg Med Chem 17: 5219-28 (2009)
Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50480960
![PNG](/data/jpeg/tenK5048/BindingDB_50480960.png) (CHEBI:41500 | Phenylbutanoic acid | Phenylbutyrate)Show InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) | PDB
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| Article PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay |
Bioorg Med Chem 17: 5219-28 (2009)
Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM36184
![PNG](/data/jpeg/tenK3/BindingDB_36184.png) (4-phenylbutanoate)Show InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/p-1 | PDB
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| Article PubMed
| 6.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay |
Bioorg Med Chem 17: 5219-28 (2009)
Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM24183
![PNG](/data/jpeg/tenK2/BindingDB_24183.png) (4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) | PDB
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| Article PubMed
| 8.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay |
Bioorg Med Chem 17: 5219-28 (2009)
Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM4375
![PNG](/data/jpeg/tenK0/BindingDB_4375.png) ((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ | PDB
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| Article PubMed
| 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay |
Bioorg Med Chem 17: 5219-28 (2009)
Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM26109
![PNG](/data/jpeg/tenK2/BindingDB_26109.png) (Butyrate | butanoic acid | butanoic acid, 4)Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) | PDB
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| Article PubMed
| 1.36E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay |
Bioorg Med Chem 17: 5219-28 (2009)
Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50079401
![PNG](/data/jpeg/tenK5007/BindingDB_50079401.png) (CHEMBL62381 | Sodium butyrate | Sodium; butyrate |...)Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1 | PDB
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Patents
Similars
| Article PubMed
| 3.65E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay |
Bioorg Med Chem 17: 5219-28 (2009)
Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50003616
![PNG](/data/jpeg/tenK5000/BindingDB_50003616.png) (2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) | PDB
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Patents
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| Article PubMed
| 5.64E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay |
Bioorg Med Chem 17: 5219-28 (2009)
Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50067040
![PNG](/data/jpeg/tenK5006/BindingDB_50067040.png) (((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4| Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3 | PDB
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| Article PubMed
| n/a | n/a | 1.15E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay |
Bioorg Med Chem 17: 5219-28 (2009)
Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50327036
![PNG](/data/jpeg/tenK5032/BindingDB_50327036.png) ((1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acry...)Show SMILES O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O |r| Show InChI InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 3.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay |
Bioorg Med Chem 17: 5219-28 (2009)
Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50079401
![PNG](/data/jpeg/tenK5007/BindingDB_50079401.png) (CHEMBL62381 | Sodium butyrate | Sodium; butyrate |...)Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1 | PDB
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| Article PubMed
| n/a | n/a | 8.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay |
Bioorg Med Chem 17: 5219-28 (2009)
Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM4375
![PNG](/data/jpeg/tenK0/BindingDB_4375.png) ((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ | PDB
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| Article PubMed
| n/a | n/a | 2.54E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay |
Bioorg Med Chem 17: 5219-28 (2009)
Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50003616
![PNG](/data/jpeg/tenK5000/BindingDB_50003616.png) (2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) | PDB
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Patents
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| Article PubMed
| n/a | n/a | 7.24E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay |
Bioorg Med Chem 17: 5219-28 (2009)
Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82 |
More data for this Ligand-Target Pair | |