BDBM222959 US9315514, 3

SMILES CC(C)(C)[C@@]1(C)OCO[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3[C@]4(CCN1CC1CC1)c25

InChI Key InChIKey=OWNPADNXDQCYAS-UHFFFAOYSA-N

Data  2 KI  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 222959   

TargetMu-type opioid receptor(Human)
Rhodes Technologies

US Patent
LigandPNGBDBM222959(US9315514, 3)
Affinity DataEC50:  0.860nMpH: 7.4 T: 2°CAssay Description:[35S]GTPγS functional assays were conducted using freshly thawed μ-receptor membranes prepared in-house from a cell line expressing recombin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2017
Entry Details
Go to US Patent

TargetKappa-type opioid receptor(Human)
Rhodes Technologies

US Patent
LigandPNGBDBM222959(US9315514, 3)
Affinity DataEC50:  22.7nMpH: 7.4 T: 2°CAssay Description:Functional [35S]GTPγS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2017
Entry Details
Go to US Patent

TargetKappa-type opioid receptor(Human)
Rhodes Technologies

US Patent
LigandPNGBDBM222959(US9315514, 3)
Affinity DataKi:  0.120nM ΔG°:  -13.5kcal/molepH: 7.4 T: 2°CAssay 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 (recombin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2017
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Rhodes Technologies

US Patent
LigandPNGBDBM222959(US9315514, 3)
Affinity DataKi:  0.450nM ΔG°:  -13.8kcal/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 membr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2017
Entry Details
Go to US Patent