BDBM96894 (3R,4aR,5R,7S)-7-cyclopentyl-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-5-methyl-1-octyl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester::(3R,4aR,5R,7S)-7-cyclopentyl-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-5-methyl-1-octyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester::MLS003812952::SMR002481907::cid_56589328::methyl (3R,4aR,5R,7S)-7-cyclopentyl-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-5-methyl-1-octyl-2-oxidanylidene-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate::methyl (3R,4aR,5R,7S)-7-cyclopentyl-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-5-methyl-1-octyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate

SMILES CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCc2ccccc2OC)C[C@@]2([C@@H](C)O[C@H](C=C12)C1CCCC1)C(=O)OC

InChI Key InChIKey=DFWJZSSFEOTGFR-UHFFFAOYSA-N

Data  2 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 4 hits for monomerid = 96894   

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

Curated by PubChem BioAssay
LigandPNGBDBM96894(cid_56589328 | methyl (3R,4aR,5R,7S)-7-cyclopentyl...)
Affinity DataEC50:  3.22E+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
LigandPNGBDBM96894(cid_56589328 | methyl (3R,4aR,5R,7S)-7-cyclopentyl...)
Affinity DataIC50: 8.54E+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
LigandPNGBDBM96894(cid_56589328 | methyl (3R,4aR,5R,7S)-7-cyclopentyl...)
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
LigandPNGBDBM96894(cid_56589328 | methyl (3R,4aR,5R,7S)-7-cyclopentyl...)
Affinity DataIC50: 2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay