Found 8 hits of Enzyme Inhibition Constant Data 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)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| 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/h5-12,22H,1-4H3,(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 by fluorometric assay |
Bioorg Med Chem Lett 22: 6200-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.006 BindingDB Entry DOI: 10.7270/Q2BG2Q8K |
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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 by fluorometric assay |
Bioorg Med Chem Lett 22: 6200-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.006 BindingDB Entry DOI: 10.7270/Q2BG2Q8K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50421333
(CHEMBL2088206)Show InChI InChI=1S/C13H19N3O3/c1-16(2)11-5-3-10(4-6-11)9-13(18)14-8-7-12(17)15-19/h3-6,19H,7-9H2,1-2H3,(H,14,18)(H,15,17) | 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 | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 by fluorometric assay |
Bioorg Med Chem Lett 22: 6200-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.006 BindingDB Entry DOI: 10.7270/Q2BG2Q8K |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50421332
(CHEMBL2088207)Show InChI InChI=1S/C11H13N3O5/c15-10(13-17)5-6-12-11(16)7-8-1-3-9(4-2-8)14(18)19/h1-4,17H,5-7H2,(H,12,16)(H,13,15) | 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 | 3.94E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 by fluorometric assay |
Bioorg Med Chem Lett 22: 6200-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.006 BindingDB Entry DOI: 10.7270/Q2BG2Q8K |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50421331
(CHEMBL2088208)Show InChI InChI=1S/C12H14N2O3/c15-11(13-9-8-12(16)14-17)7-6-10-4-2-1-3-5-10/h1-7,17H,8-9H2,(H,13,15)(H,14,16)/b7-6+ | 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 | 6.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 by fluorometric assay |
Bioorg Med Chem Lett 22: 6200-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.006 BindingDB Entry DOI: 10.7270/Q2BG2Q8K |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50421334
(CHEMBL2088205)Show InChI InChI=1S/C13H18N2O3/c1-10-2-4-11(5-3-10)6-7-12(16)14-9-8-13(17)15-18/h2-5,18H,6-9H2,1H3,(H,14,16)(H,15,17) | 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 | 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 by fluorometric assay |
Bioorg Med Chem Lett 22: 6200-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.006 BindingDB Entry DOI: 10.7270/Q2BG2Q8K |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50421335
(CHEMBL2088204)Show InChI InChI=1S/C12H16N2O4/c1-9-2-4-10(5-3-9)18-8-12(16)13-7-6-11(15)14-17/h2-5,17H,6-8H2,1H3,(H,13,16)(H,14,15) | 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 | 8.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 by fluorometric assay |
Bioorg Med Chem Lett 22: 6200-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.006 BindingDB Entry DOI: 10.7270/Q2BG2Q8K |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50421336
(CHEMBL2088203)Show InChI InChI=1S/C14H19N3O3/c1-17(2)12-6-3-11(4-7-12)5-8-13(18)15-10-9-14(19)16-20/h3-8,20H,9-10H2,1-2H3,(H,15,18)(H,16,19)/b8-5+ | 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 | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 by fluorometric assay |
Bioorg Med Chem Lett 22: 6200-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.006 BindingDB Entry DOI: 10.7270/Q2BG2Q8K |
More data for this Ligand-Target Pair | |