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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

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50187086   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50187086
PNG
((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+
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Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/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
PNG
((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
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/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