Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50142838' 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
(Homo sapiens (Human)) | BDBM50142838
(CHEMBL3758697)Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCC(=O)NO Show InChI InChI=1S/C21H23BrN4O4/c1-29-18-12-17-16(11-19(18)30-10-4-2-3-5-20(27)26-28)21(24-13-23-17)25-15-8-6-14(22)7-9-15/h6-9,11-13,28H,2-5,10H2,1H3,(H,26,27)(H,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HDAC (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00491 BindingDB Entry DOI: 10.7270/Q2RJ4P50 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50142838
(CHEMBL3758697)Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCC(=O)NO Show InChI InChI=1S/C21H23BrN4O4/c1-29-18-12-17-16(11-19(18)30-10-4-2-3-5-20(27)26-28)21(24-13-23-17)25-15-8-6-14(22)7-9-15/h6-9,11-13,28H,2-5,10H2,1H3,(H,26,27)(H,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom... |
Eur J Med Chem 109: 1-12 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX |
More data for this Ligand-Target Pair | |