Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50087841' 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 8
(Homo sapiens (Human)) | BDBM50087841
(CHEMBL3426804)Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1 Show InChI InChI=1S/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02067 BindingDB Entry DOI: 10.7270/Q2XD15PJ |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50087841
(CHEMBL3426804)Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1 Show InChI InChI=1S/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Ortopedico Rizzoli (IOR)
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC8 (unknown origin) by homogeneous fluorescence release assay |
J Med Chem 58: 4073-9 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00126 BindingDB Entry DOI: 10.7270/Q23X88DK |
More data for this Ligand-Target Pair | |