BDBM50187086 (E)-N-(2-aminophenyl)-3-(4-((3,4,5-trimethoxyphenylamino)methyl)phenyl)acrylamide::CHEMBL378942::N-(2-aminophenyl)-3-(4-((3,4,5-trimethoxyphenylamino)methyl)phenyl)acrylamide
SMILES: COc1cc(NCc2ccc(\C=C\C(=O)Nc3ccccc3N)cc2)cc(OC)c1OC
InChI Key: InChIKey=MKDCAECTZDKFKX-OUKQBFOZSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50187086 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 1
(Homo sapiens (Human)) | BDBM50187086
((E)-N-(2-aminophenyl)-3-(4-((3,4,5-trimethoxypheny...)Show SMILES COc1cc(NCc2ccc(\C=C\C(=O)Nc3ccccc3N)cc2)cc(OC)c1OC Show InChI InChI=1S/C25H27N3O4/c1-30-22-14-19(15-23(31-2)25(22)32-3)27-16-18-10-8-17(9-11-18)12-13-24(29)28-21-7-5-4-6-20(21)26/h4-15,27H,16,26H2,1-3H3,(H,28,29)/b13-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.00E+3 | 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 | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50187086
((E)-N-(2-aminophenyl)-3-(4-((3,4,5-trimethoxypheny...)Show SMILES COc1cc(NCc2ccc(\C=C\C(=O)Nc3ccccc3N)cc2)cc(OC)c1OC Show InChI InChI=1S/C25H27N3O4/c1-30-22-14-19(15-23(31-2)25(22)32-3)27-16-18-10-8-17(9-11-18)12-13-24(29)28-21-7-5-4-6-20(21)26/h4-15,27H,16,26H2,1-3H3,(H,28,29)/b13-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC1 |
Bioorg Med Chem Lett 16: 4048-52 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.005 BindingDB Entry DOI: 10.7270/Q2CF9PP5 |
More data for this Ligand-Target Pair | |