BDBM228516 US9340542, 2

SMILES COc1ccc2C[C@]34CC[C@@]5(C[C@]3(CCN(CC3CC3)C4)c2c1)NC(=O)NC5=O

InChI Key InChIKey=OWQCCLBKHGKZEW-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 228516   

TargetKappa-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM228516(US9340542, 2)
Affinity DataKi:  4.76E+3nMpH: 7.4Assay Description:Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recomb...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2017
Entry Details
US Patent

TargetMu-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM228516(US9340542, 2)
Affinity DataKi:  6.25E+3nM ΔG°:  -7.09kcal/molepH: 7.4 T: 2°CAssay Description:Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg mem...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2017
Entry Details
US Patent