Found 14 hits of ki for monomerid = 22449 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 6
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC6 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 142 | -38.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of Notre Dame
| Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate... |
J Med Chem 51: 2898-906 (2008)
Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | PDB MMDB
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| Article PubMed
| 143 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC8 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 326 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | NCI pathway Reactome pathway KEGG
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| Article PubMed
| 374 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC10 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 9
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | Reactome pathway KEGG
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| Article PubMed
| 509 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC9 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 544 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC3 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 11
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | NCI pathway Reactome pathway KEGG
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| Article PubMed
| 719 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC11 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 995 | -33.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of Notre Dame
| Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate... |
J Med Chem 51: 2898-906 (2008)
Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | PDB MMDB
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| Article PubMed
| 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC2 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | KEGG
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| 1.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC5 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 7
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 5.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC7 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 6.30E+3 | -29.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of Notre Dame
| Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate... |
J Med Chem 51: 2898-906 (2008)
Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | PDB MMDB
KEGG
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| Article PubMed
| 9.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC4 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |