BDBM96854 (3S,4aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-6,6-dimethyl-2-oxo-3,4,5,7-tetrahydroquinoline-4a-carboxylic acid methyl ester::(3S,4aR)-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-6,6-dimethyl-1-piperonyl-3,4,5,7-tetrahydroquinoline-4a-carboxylic acid methyl ester::MLS003674940::SMR002354236::cid_53383948::methyl (3S,4aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-6,6-dimethyl-2-oxidanylidene-3,4,5,7-tetrahydroquinoline-4a-carboxylate::methyl (3S,4aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-6,6-dimethyl-2-oxo-3,4,5,7-tetrahydroquinoline-4a-carboxylate

SMILES COC(=O)[C@@]12C[C@@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccc4OCOc4c3)C1=CCC(C)(C)C2

InChI Key InChIKey=VAJSQJMOCPWEPG-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 96854   

TargetTrace amine-associated receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96854(methyl (3S,4aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-[...)
Affinity DataEC50:  2.40E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetTrace amine-associated receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96854(methyl (3S,4aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-[...)
Affinity DataIC50: 6.93E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetGuanine nucleotide-binding protein subunit alpha-15(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96854(methyl (3S,4aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-[...)
Affinity DataEC50: >2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetGuanine nucleotide-binding protein subunit alpha-15(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96854(methyl (3S,4aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-[...)
Affinity DataIC50: 2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay