BDBM96844 (3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylic acid ethyl ester::(3S,4aS)-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-1-piperonyl-3,4,5,6-tetrahydro-1-pyrindine-4a-carboxylic acid ethyl ester::MLS003551927::SMR002202672::cid_53300042::ethyl (3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylate::ethyl (3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylate

SMILES CCOC(=O)[C@]12CCC=C1N(Cc1ccc3OCOc3c1)C(=O)[C@H](CC(=O)NCCc1ccccc1OC)C2

InChI Key InChIKey=CNXCAZVTWLYVQH-RCRUUEGKSA-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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 96844   

TargetGuanine nucleotide-binding protein subunit alpha-15(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96844((3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2...)
Affinity DataEC50: >2.99E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGuanine nucleotide-binding protein subunit alpha-15(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96844((3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2...)
Affinity DataIC50: >2.99E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTrace amine-associated receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96844((3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2...)
Affinity DataEC50:  7.51E+3nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTrace amine-associated receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96844((3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2...)
Affinity DataIC50:  6.47E+3nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay