BDBM173475 US9096606, 12

SMILES COc4ccc5C[C@@H]8[C@@]37CC[C@@](OC)([C@@H](COCc2cc1ccccc1o2)C3)[C@@H]6Oc4c5[C@@]67CC[N+]8(C)CC9CC9

InChI Key InChIKey=RUMHRQROJLSXMB-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 173475   

TargetKappa-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM173475(US9096606, 12)
Affinity DataKi:  17.3nM ΔG°:  -9.84kcal/molepH: 7.4 T: 2°CAssay Description:Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (cloned in house) were prepared by lysing cells in ice cold hypot...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2016
Entry Details
US Patent

TargetMu-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM173475(US9096606, 12)
Affinity DataKi:  275nM ΔG°:  -9.69kcal/molepH: 7.4 T: 2°CAssay Description:Radioligand dose-displacement binding assays for -opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2016
Entry Details
US Patent