BDBM83417 (Z)-2-butenedioic acid;3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenylbutyl] ester::(Z)-but-2-enedioic acid;[2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate::(Z)-but-2-enedioic acid;[2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate::MLS001401430::SMR000471622::TRIMEBUTINE MALEATE::cid_5388977::maleic acid;3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenyl-butyl] ester

SMILES CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c1ccccc1

InChI Key InChIKey=LORDFXWUHHSAQU-UHFFFAOYSA-N

Data  1 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 83417   

TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM83417((Z)-2-butenedioic acid;3,4,5-trimethoxybenzoic aci...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2019
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM83417((Z)-2-butenedioic acid;3,4,5-trimethoxybenzoic aci...)
Affinity DataEC50:  6.51E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay
TargetDelta-type opioid receptor(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM83417((Z)-2-butenedioic acid;3,4,5-trimethoxybenzoic aci...)
Affinity DataEC50: >9.25E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay