Found 99 hits Enz. Inhib. hit(s) with all data for entry = 50046655 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)) | BDBM50123617
(CHEMBL3622726)Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/m1/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 | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50123617
(CHEMBL3622726)Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/m1/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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50123618
(CHEMBL3622727)Show SMILES C\C=C1/NC(=O)c2csc(n2)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C24H34N4O5S2/c1-6-16-21(30)28-20(14(4)5)24(32)33-15(9-7-8-10-34)11-18(29)27-19(13(2)3)23-26-17(12-35-23)22(31)25-16/h6-7,9,12-15,19-20,34H,8,10-11H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,19-,20+/m1/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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50123620
(CHEMBL3622729)Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)n2 |r| Show InChI InChI=1S/C21H28N4O5S2/c1-4-14-19(27)25-18(12(2)3)21(29)30-13(7-5-6-8-31)9-16(26)22-10-17-23-15(11-32-17)20(28)24-14/h4-5,7,11-13,18,31H,6,8-10H2,1-3H3,(H,22,26)(H,24,28)(H,25,27)/b7-5+,14-4-/t13-,18+/m1/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 | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50123617
(CHEMBL3622726)Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50123617
(CHEMBL3622726)Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/m1/s1 | PDB
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 | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50123620
(CHEMBL3622729)Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)n2 |r| Show InChI InChI=1S/C21H28N4O5S2/c1-4-14-19(27)25-18(12(2)3)21(29)30-13(7-5-6-8-31)9-16(26)22-10-17-23-15(11-32-17)20(28)24-14/h4-5,7,11-13,18,31H,6,8-10H2,1-3H3,(H,22,26)(H,24,28)(H,25,27)/b7-5+,14-4-/t13-,18+/m1/s1 | PDB
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 | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50123618
(CHEMBL3622727)Show SMILES C\C=C1/NC(=O)c2csc(n2)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C24H34N4O5S2/c1-6-16-21(30)28-20(14(4)5)24(32)33-15(9-7-8-10-34)11-18(29)27-19(13(2)3)23-26-17(12-35-23)22(31)25-16/h6-7,9,12-15,19-20,34H,8,10-11H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,19-,20+/m1/s1 | PDB
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 | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50354086
(FK-228 | Istodax | ROMIDEPSIN)Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50123634
(CHEMBL3622731)Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r| Show InChI InChI=1S/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG 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 |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50123617
(CHEMBL3622726)Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/m1/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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC8 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50123620
(CHEMBL3622729)Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)n2 |r| Show InChI InChI=1S/C21H28N4O5S2/c1-4-14-19(27)25-18(12(2)3)21(29)30-13(7-5-6-8-31)9-16(26)22-10-17-23-15(11-32-17)20(28)24-14/h4-5,7,11-13,18,31H,6,8-10H2,1-3H3,(H,22,26)(H,24,28)(H,25,27)/b7-5+,14-4-/t13-,18+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50123618
(CHEMBL3622727)Show SMILES C\C=C1/NC(=O)c2csc(n2)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C24H34N4O5S2/c1-6-16-21(30)28-20(14(4)5)24(32)33-15(9-7-8-10-34)11-18(29)27-19(13(2)3)23-26-17(12-35-23)22(31)25-16/h6-7,9,12-15,19-20,34H,8,10-11H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,19-,20+/m1/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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50123620
(CHEMBL3622729)Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)n2 |r| Show InChI InChI=1S/C21H28N4O5S2/c1-4-14-19(27)25-18(12(2)3)21(29)30-13(7-5-6-8-31)9-16(26)22-10-17-23-15(11-32-17)20(28)24-14/h4-5,7,11-13,18,31H,6,8-10H2,1-3H3,(H,22,26)(H,24,28)(H,25,27)/b7-5+,14-4-/t13-,18+/m1/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 | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50354086
(FK-228 | Istodax | ROMIDEPSIN)Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50322422
(CHEMBL1173445 | Largazole)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26| Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50123634
(CHEMBL3622731)Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r| Show InChI InChI=1S/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
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 | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50123618
(CHEMBL3622727)Show SMILES C\C=C1/NC(=O)c2csc(n2)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C24H34N4O5S2/c1-6-16-21(30)28-20(14(4)5)24(32)33-15(9-7-8-10-34)11-18(29)27-19(13(2)3)23-26-17(12-35-23)22(31)25-16/h6-7,9,12-15,19-20,34H,8,10-11H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,19-,20+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50123617
(CHEMBL3622726)Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/m1/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 | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50123628
(CHEMBL3622730)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50123619
(CHEMBL3622728)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)c2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C32H48N4O6S2/c1-7-9-10-11-12-16-26(38)43-17-14-13-15-22-18-25(37)35-27(20(3)4)31-34-24(19-44-31)30(40)33-23(8-2)29(39)36-28(21(5)6)32(41)42-22/h8,13,15,19-22,27-28H,7,9-12,14,16-18H2,1-6H3,(H,33,40)(H,35,37)(H,36,39)/b15-13+,23-8-/t22-,27-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(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
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 | 323 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50123634
(CHEMBL3622731)Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r| Show InChI InChI=1S/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 328 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50123620
(CHEMBL3622729)Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)n2 |r| Show InChI InChI=1S/C21H28N4O5S2/c1-4-14-19(27)25-18(12(2)3)21(29)30-13(7-5-6-8-31)9-16(26)22-10-17-23-15(11-32-17)20(28)24-14/h4-5,7,11-13,18,31H,6,8-10H2,1-3H3,(H,22,26)(H,24,28)(H,25,27)/b7-5+,14-4-/t13-,18+/m1/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 | 331 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50123619
(CHEMBL3622728)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)c2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C32H48N4O6S2/c1-7-9-10-11-12-16-26(38)43-17-14-13-15-22-18-25(37)35-27(20(3)4)31-34-24(19-44-31)30(40)33-23(8-2)29(39)36-28(21(5)6)32(41)42-22/h8,13,15,19-22,27-28H,7,9-12,14,16-18H2,1-6H3,(H,33,40)(H,35,37)(H,36,39)/b15-13+,23-8-/t22-,27-,28+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 395 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50123618
(CHEMBL3622727)Show SMILES C\C=C1/NC(=O)c2csc(n2)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C24H34N4O5S2/c1-6-16-21(30)28-20(14(4)5)24(32)33-15(9-7-8-10-34)11-18(29)27-19(13(2)3)23-26-17(12-35-23)22(31)25-16/h6-7,9,12-15,19-20,34H,8,10-11H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,19-,20+/m1/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 | 459 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(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) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 686 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50123634
(CHEMBL3622731)Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r| Show InChI InChI=1S/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 751 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(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 | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50322422
(CHEMBL1173445 | Largazole)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26| Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 859 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50322422
(CHEMBL1173445 | Largazole)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26| Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50354086
(FK-228 | Istodax | ROMIDEPSIN)Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50354086
(FK-228 | Istodax | ROMIDEPSIN)Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50123628
(CHEMBL3622730)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 7
(Homo sapiens (Human)) | BDBM50123617
(CHEMBL3622726)Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/m1/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 | 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC7 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50322422
(CHEMBL1173445 | Largazole)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26| Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50123628
(CHEMBL3622730)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50322422
(CHEMBL1173445 | Largazole)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26| Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 11
(Homo sapiens (Human)) | BDBM50123617
(CHEMBL3622726)Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC11 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50123618
(CHEMBL3622727)Show SMILES C\C=C1/NC(=O)c2csc(n2)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C24H34N4O5S2/c1-6-16-21(30)28-20(14(4)5)24(32)33-15(9-7-8-10-34)11-18(29)27-19(13(2)3)23-26-17(12-35-23)22(31)25-16/h6-7,9,12-15,19-20,34H,8,10-11H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,19-,20+/m1/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 | 2.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC8 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(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) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC5 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50123628
(CHEMBL3622730)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50123619
(CHEMBL3622728)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)c2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C32H48N4O6S2/c1-7-9-10-11-12-16-26(38)43-17-14-13-15-22-18-25(37)35-27(20(3)4)31-34-24(19-44-31)30(40)33-23(8-2)29(39)36-28(21(5)6)32(41)42-22/h8,13,15,19-22,27-28H,7,9-12,14,16-18H2,1-6H3,(H,33,40)(H,35,37)(H,36,39)/b15-13+,23-8-/t22-,27-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50123619
(CHEMBL3622728)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)c2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C32H48N4O6S2/c1-7-9-10-11-12-16-26(38)43-17-14-13-15-22-18-25(37)35-27(20(3)4)31-34-24(19-44-31)30(40)33-23(8-2)29(39)36-28(21(5)6)32(41)42-22/h8,13,15,19-22,27-28H,7,9-12,14,16-18H2,1-6H3,(H,33,40)(H,35,37)(H,36,39)/b15-13+,23-8-/t22-,27-,28+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50123620
(CHEMBL3622729)Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)n2 |r| Show InChI InChI=1S/C21H28N4O5S2/c1-4-14-19(27)25-18(12(2)3)21(29)30-13(7-5-6-8-31)9-16(26)22-10-17-23-15(11-32-17)20(28)24-14/h4-5,7,11-13,18,31H,6,8-10H2,1-3H3,(H,22,26)(H,24,28)(H,25,27)/b7-5+,14-4-/t13-,18+/m1/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 | 3.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC8 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 9
(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) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC9 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50123634
(CHEMBL3622731)Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r| Show InChI InChI=1S/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(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 MMDB PDB Article PubMed
| n/a | n/a | 4.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institute of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC8 after 60 mins by fluorescence assay |
J Med Chem 58: 7672-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01044 BindingDB Entry DOI: 10.7270/Q2DF6T01 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |