BDBM236827 US9388162, 19

SMILES CC(C)C[C@H](NC(=O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O)C(O)=O

InChI Key InChIKey=KWPXRFXRFPSEAO-UHFFFAOYSA-N

Data  1 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 3 hits for monomerid = 236827   

TargetMu-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM236827(US9388162, 19)
Affinity DataEC50:  49.7nMpH: 7.4 T: 2°CAssay Description:[35S]GTPγS functional assays were conducted using freshly thawed μ-receptor membranes prepared from a cell line expressing recombinant μ ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2017
Entry Details
US Patent

TargetKappa-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM236827(US9388162, 19)
Affinity DataKi:  146nM ΔG°:  -9.32kcal/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:
7/10/2017
Entry Details
US Patent

TargetKappa-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM236827(US9388162, 19)
Affinity DataEC50:  201nMpH: 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:
7/10/2017
Entry Details
US Patent