BDBM50479644 CHEMBL455757
SMILES: CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3n(C)cnc3c2)cc1
InChI Key: InChIKey=JYOAACIQZZNFCF-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50479644 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479644
(CHEMBL455757)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3n(C)cnc3c2)cc1 Show InChI InChI=1S/C18H17N3O4S2/c1-12(22)26-10-18(23)13-3-5-14(6-4-13)20-27(24,25)15-7-8-17-16(9-15)19-11-21(17)2/h3-9,11,20H,10H2,1-2H3 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058 BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50479644
(CHEMBL455757)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3n(C)cnc3c2)cc1 Show InChI InChI=1S/C18H17N3O4S2/c1-12(22)26-10-18(23)13-3-5-14(6-4-13)20-27(24,25)15-7-8-17-16(9-15)19-11-21(17)2/h3-9,11,20H,10H2,1-2H3 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 79 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation |
Bioorg Med Chem Lett 18: 6482-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.058 BindingDB Entry DOI: 10.7270/Q2G44T2P |
More data for this Ligand-Target Pair | |