Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50049149 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)) | BDBM50235296
(CHEMBL4096623)Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C22H34N6O3/c1-3-27(4-2)16-14-23-22(30)19-12-10-18(11-13-19)20-17-28(26-24-20)15-8-6-5-7-9-21(29)25-31/h10-13,17,31H,3-9,14-16H2,1-2H3,(H,23,30)(H,25,29) | 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 | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19149
(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
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50235293
(CHEMBL4102456)Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)-c1cn(CCCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C23H36N6O3/c1-3-28(4-2)17-15-24-23(31)20-13-11-19(12-14-20)21-18-29(27-25-21)16-9-7-5-6-8-10-22(30)26-32/h11-14,18,32H,3-10,15-17H2,1-2H3,(H,24,31)(H,26,30) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50235296
(CHEMBL4096623)Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C22H34N6O3/c1-3-27(4-2)16-14-23-22(30)19-12-10-18(11-13-19)20-17-28(26-24-20)15-8-6-5-7-9-21(29)25-31/h10-13,17,31H,3-9,14-16H2,1-2H3,(H,23,30)(H,25,29) | 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 |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50235295
(CHEMBL4092997)Show SMILES CCN(CC)CCNC(=O)c1ccc(cn1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C21H33N7O3/c1-3-27(4-2)14-12-22-21(30)18-11-10-17(15-23-18)19-16-28(26-24-19)13-8-6-5-7-9-20(29)25-31/h10-11,15-16,31H,3-9,12-14H2,1-2H3,(H,22,30)(H,25,29) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50235293
(CHEMBL4102456)Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)-c1cn(CCCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C23H36N6O3/c1-3-28(4-2)17-15-24-23(31)20-13-11-19(12-14-20)21-18-29(27-25-21)16-9-7-5-6-8-10-22(30)26-32/h11-14,18,32H,3-10,15-17H2,1-2H3,(H,24,31)(H,26,30) | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(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
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50235295
(CHEMBL4092997)Show SMILES CCN(CC)CCNC(=O)c1ccc(cn1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C21H33N7O3/c1-3-27(4-2)14-12-22-21(30)18-11-10-17(15-23-18)19-16-28(26-24-19)13-8-6-5-7-9-20(29)25-31/h10-11,15-16,31H,3-9,12-14H2,1-2H3,(H,22,30)(H,25,29) | 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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50235294
(CHEMBL4084499)Show SMILES CCN(CC)CCNC(=O)c1ccc(cn1)-c1cn(CCCCCC(=O)NO)nn1 Show InChI InChI=1S/C20H31N7O3/c1-3-26(4-2)13-11-21-20(29)17-10-9-16(14-22-17)18-15-27(25-23-18)12-7-5-6-8-19(28)24-30/h9-10,14-15,30H,3-8,11-13H2,1-2H3,(H,21,29)(H,24,28) | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50235294
(CHEMBL4084499)Show SMILES CCN(CC)CCNC(=O)c1ccc(cn1)-c1cn(CCCCCC(=O)NO)nn1 Show InChI InChI=1S/C20H31N7O3/c1-3-26(4-2)13-11-21-20(29)17-10-9-16(14-22-17)18-15-27(25-23-18)12-7-5-6-8-19(28)24-30/h9-10,14-15,30H,3-8,11-13H2,1-2H3,(H,21,29)(H,24,28) | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4 |
More data for this Ligand-Target Pair | |