BDBM397471 US9988392, Compound 17

SMILES COc1ccc2c3c1O[C@H]1C4(OC)CC[C@@]5(C[C@]4(C)COCc4cc6ccccc6s4)[C@@H](C2)N(C)CC[C@]315

InChI Key InChIKey=NSJIFTYAAISZTA-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 397471   

TargetMu-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandChemical structure of BindingDB Monomer ID 397471BDBM397471(US9988392, Compound 17)
Affinity DataEC50:  74.2nMAssay Description:μ-Opioid:Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.),...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2020
Entry Details
US Patent