BDBM96895 (3R,4aR,5R,7R)-1-benzyl-7-tert-butyl-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-5-methyl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester::(3R,4aR,5R,7R)-7-tert-butyl-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-5-methyl-2-oxo-1-(phenylmethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester::MLS003812976::SMR002481931::cid_56589351::methyl (3R,4aR,5R,7R)-1-benzyl-7-tert-butyl-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-5-methyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate::methyl (3R,4aR,5R,7R)-7-tert-butyl-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-5-methyl-2-oxidanylidene-1-(phenylmethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate

SMILES COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccccc3)C1=C[C@@H](O[C@@H]2C)C(C)(C)C

InChI Key InChIKey=ZWOOGKOJFCFNJF-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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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 = 96895   

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

Curated by PubChem BioAssay
LigandPNGBDBM96895(cid_56589351 | SMR002481931 | (3R,4aR,5R,7R)-7-ter...)
Affinity DataEC50:  2.45E+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
LigandPNGBDBM96895(cid_56589351 | SMR002481931 | (3R,4aR,5R,7R)-7-ter...)
Affinity DataIC50: 7.35E+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
LigandPNGBDBM96895(cid_56589351 | SMR002481931 | (3R,4aR,5R,7R)-7-ter...)
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
LigandPNGBDBM96895(cid_56589351 | SMR002481931 | (3R,4aR,5R,7R)-7-ter...)
Affinity DataIC50: 2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay