BDBM96846 (3S,4aS)-1-benzyl-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylic acid methyl ester::(3S,4aS)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-1-(phenylmethyl)-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylic acid methyl ester::MLS003551973::SMR002202718::cid_53300088::methyl (3S,4aS)-1-benzyl-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate::methyl (3S,4aS)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-1-(phenylmethyl)-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate

SMILES COC(=O)[C@@]12C[C@@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccccc3)C1=CCCCC2

InChI Key InChIKey=MGJXLAPIIOKKNS-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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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 96846   

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

Curated by PubChem BioAssay
LigandPNGBDBM96846(methyl (3S,4aS)-3-[2-[2-(2-methoxyphenyl)ethylamin...)
Affinity DataEC50:  2.49E+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
LigandPNGBDBM96846(methyl (3S,4aS)-3-[2-[2-(2-methoxyphenyl)ethylamin...)
Affinity DataIC50: 4.83E+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
LigandPNGBDBM96846(methyl (3S,4aS)-3-[2-[2-(2-methoxyphenyl)ethylamin...)
Affinity DataIC50: 2.77E+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
LigandPNGBDBM96846(methyl (3S,4aS)-3-[2-[2-(2-methoxyphenyl)ethylamin...)
Affinity DataEC50: >2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay