BDBM50372462 CHEMBL270249
SMILES: ONC(=O)Cc1ccc(s1)-c1csc(NC(=O)COc2ccccc2)n1
InChI Key: InChIKey=LHWRBBYEMYYRDD-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50372462 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 8
(Homo sapiens (Human)) | BDBM50372462
(CHEMBL270249)Show SMILES ONC(=O)Cc1ccc(s1)-c1csc(NC(=O)COc2ccccc2)n1 Show InChI InChI=1S/C17H15N3O4S2/c21-15(20-23)8-12-6-7-14(26-12)13-10-25-17(18-13)19-16(22)9-24-11-4-2-1-3-5-11/h1-7,10,23H,8-9H2,(H,20,21)(H,18,19,22) | 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 | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 |
J Med Chem 51: 1505-29 (2008)
Article DOI: 10.1021/jm7011408 BindingDB Entry DOI: 10.7270/Q2M32WMT |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50372462
(CHEMBL270249)Show SMILES ONC(=O)Cc1ccc(s1)-c1csc(NC(=O)COc2ccccc2)n1 Show InChI InChI=1S/C17H15N3O4S2/c21-15(20-23)8-12-6-7-14(26-12)13-10-25-17(18-13)19-16(22)9-24-11-4-2-1-3-5-11/h1-7,10,23H,8-9H2,(H,20,21)(H,18,19,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 |
J Med Chem 51: 1505-29 (2008)
Article DOI: 10.1021/jm7011408 BindingDB Entry DOI: 10.7270/Q2M32WMT |
More data for this Ligand-Target Pair | |