BDBM373528 US9902726, Compound 5

SMILES CS(=O)(=O)c1cc2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)Cc2[nH]c1=O

InChI Key InChIKey=BKDVXXWPPKTCPW-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 = 373528   

TargetKappa-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM373528(US9902726, Compound 5)
Affinity DataKi:  360nMAssay Description:κ-Opioid: Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/21/2020
Entry Details
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TargetMu-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM373528(US9902726, Compound 5)
Affinity DataKi:  760nMAssay Description:μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 μ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/21/2020
Entry Details
Go to US Patent