Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50007707 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)) | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) after 30 mins by fluorescence based assay |
J Med Chem 63: 5341-5359 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00102 BindingDB Entry DOI: 10.7270/Q2G73J21 |
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 | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) after 30 mins by fluorescence based assay |
J Med Chem 63: 5341-5359 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00102 BindingDB Entry DOI: 10.7270/Q2G73J21 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50511920
(CHEMBL4546176)Show SMILES CN(Cc1ccc(cc1)-n1cnn(CCCCc2ccc(cc2)C(=O)NO)c1=O)CC(O)(Cn1cncn1)c1ccc(F)cc1F Show InChI InChI=1S/C32H34F2N8O4/c1-39(18-32(45,19-40-21-35-20-36-40)28-14-11-26(33)16-29(28)34)17-24-7-12-27(13-8-24)41-22-37-42(31(41)44)15-3-2-4-23-5-9-25(10-6-23)30(43)38-46/h5-14,16,20-22,45-46H,2-4,15,17-19H2,1H3,(H,38,43) | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) after 30 mins by fluorescence based assay |
J Med Chem 63: 5341-5359 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00102 BindingDB Entry DOI: 10.7270/Q2G73J21 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50511920
(CHEMBL4546176)Show SMILES CN(Cc1ccc(cc1)-n1cnn(CCCCc2ccc(cc2)C(=O)NO)c1=O)CC(O)(Cn1cncn1)c1ccc(F)cc1F Show InChI InChI=1S/C32H34F2N8O4/c1-39(18-32(45,19-40-21-35-20-36-40)28-14-11-26(33)16-29(28)34)17-24-7-12-27(13-8-24)41-22-37-42(31(41)44)15-3-2-4-23-5-9-25(10-6-23)30(43)38-46/h5-14,16,20-22,45-46H,2-4,15,17-19H2,1H3,(H,38,43) | 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 | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) after 30 mins by fluorescence based assay |
J Med Chem 63: 5341-5359 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00102 BindingDB Entry DOI: 10.7270/Q2G73J21 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50511919
(CHEMBL4562449)Show SMILES CN(Cc1ccc(OCCCOc2ccc(CC(=O)NO)cc2)cc1)CC(O)(Cn1cncn1)c1ccc(F)cc1F Show InChI InChI=1S/C30H33F2N5O5/c1-36(18-30(39,19-37-21-33-20-34-37)27-12-7-24(31)16-28(27)32)17-23-5-10-26(11-6-23)42-14-2-13-41-25-8-3-22(4-9-25)15-29(38)35-40/h3-12,16,20-21,39-40H,2,13-15,17-19H2,1H3,(H,35,38) | 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 | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) after 30 mins by fluorescence based assay |
J Med Chem 63: 5341-5359 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00102 BindingDB Entry DOI: 10.7270/Q2G73J21 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50511919
(CHEMBL4562449)Show SMILES CN(Cc1ccc(OCCCOc2ccc(CC(=O)NO)cc2)cc1)CC(O)(Cn1cncn1)c1ccc(F)cc1F Show InChI InChI=1S/C30H33F2N5O5/c1-36(18-30(39,19-37-21-33-20-34-37)27-12-7-24(31)16-28(27)32)17-23-5-10-26(11-6-23)42-14-2-13-41-25-8-3-22(4-9-25)15-29(38)35-40/h3-12,16,20-21,39-40H,2,13-15,17-19H2,1H3,(H,35,38) | 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 | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) after 30 mins by fluorescence based assay |
J Med Chem 63: 5341-5359 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00102 BindingDB Entry DOI: 10.7270/Q2G73J21 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(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
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in HUVEC using Boc-Lys(Ac)-AMC as substrate preincubated for 12 hrs followed by substrate addition and measured after 4 hrs by flu... |
J Med Chem 63: 5341-5359 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00102 BindingDB Entry DOI: 10.7270/Q2G73J21 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50511919
(CHEMBL4562449)Show SMILES CN(Cc1ccc(OCCCOc2ccc(CC(=O)NO)cc2)cc1)CC(O)(Cn1cncn1)c1ccc(F)cc1F Show InChI InChI=1S/C30H33F2N5O5/c1-36(18-30(39,19-37-21-33-20-34-37)27-12-7-24(31)16-28(27)32)17-23-5-10-26(11-6-23)42-14-2-13-41-25-8-3-22(4-9-25)15-29(38)35-40/h3-12,16,20-21,39-40H,2,13-15,17-19H2,1H3,(H,35,38) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in HUVEC using Boc-Lys(Ac)-AMC as substrate preincubated for 12 hrs followed by substrate addition and measured after 4 hrs by flu... |
J Med Chem 63: 5341-5359 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00102 BindingDB Entry DOI: 10.7270/Q2G73J21 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50511920
(CHEMBL4546176)Show SMILES CN(Cc1ccc(cc1)-n1cnn(CCCCc2ccc(cc2)C(=O)NO)c1=O)CC(O)(Cn1cncn1)c1ccc(F)cc1F Show InChI InChI=1S/C32H34F2N8O4/c1-39(18-32(45,19-40-21-35-20-36-40)28-14-11-26(33)16-29(28)34)17-24-7-12-27(13-8-24)41-22-37-42(31(41)44)15-3-2-4-23-5-9-25(10-6-23)30(43)38-46/h5-14,16,20-22,45-46H,2-4,15,17-19H2,1H3,(H,38,43) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in HUVEC using Boc-Lys(Ac)-AMC as substrate preincubated for 12 hrs followed by substrate addition and measured after 4 hrs by flu... |
J Med Chem 63: 5341-5359 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00102 BindingDB Entry DOI: 10.7270/Q2G73J21 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in HUVEC using Boc-Lys(Ac)-AMC as substrate preincubated for 12 hrs followed by substrate addition and measured after 4 hrs by flu... |
J Med Chem 63: 5341-5359 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00102 BindingDB Entry DOI: 10.7270/Q2G73J21 |
More data for this Ligand-Target Pair | |