null

SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O

InChI Key InChIKey=COTYYZPYDJKKIS-KQMWNOITSA-N

  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 11 hits for monomerid = 97710   

TargetOpioid growth factor receptor-like protein 1(Homo sapiens (Human))
Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent
LigandPNGBDBM97710(US8476271, 16 | US9145408, 362)copy SMILEScopy InChI
Affinity DataKi:  2.40nM ΔG°:  -10.9kcal/molepH: 7.4 T: 2°CAssay Description:ORL-1 Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like receptor (ORL-1) (Recepto...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DJ5DD3US Patent
TargetNociceptin receptor(Homo sapiens (Human))
Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent
LigandPNGBDBM97710(US8476271, 16 | US9145408, 362)copy SMILEScopy InChI
Affinity DataKi:  2.40nM ΔG°:  -11.8kcal/molepH: 7.4 T: 2°CAssay Description:In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor. More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2416VNBUS Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent
LigandPNGBDBM97710(US8476271, 16 | US9145408, 362)copy SMILEScopy InChI
Affinity DataKi:  1.63E+3nM ΔG°:  -7.89kcal/molepH: 7.4 T: 2°CAssay Description:In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor. More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2416VNBUS Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent
LigandPNGBDBM97710(US8476271, 16 | US9145408, 362)copy SMILEScopy InChI
Affinity DataKi:  1.63E+3nM ΔG°:  -7.89kcal/molepH: 7.4 T: 2°CAssay Description:mu-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for mu-opioid receptors used 0.2 nM[3H]-diprenorphine (NEN,...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DJ5DD3US Patent
TargetKappa-type opioid receptor(Homo sapiens (Human))
Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent
LigandPNGBDBM97710(US8476271, 16 | US9145408, 362)copy SMILEScopy InChI
Affinity DataKi:  2.28E+3nM ΔG°:  -7.69kcal/molepH: 7.4 T: 2°CAssay Description:In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor. More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2416VNBUS Patent
TargetKappa-type opioid receptor(Homo sapiens (Human))
Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent
LigandPNGBDBM97710(US8476271, 16 | US9145408, 362)copy SMILEScopy InChI
Affinity DataKi:  2.28E+3nM ΔG°:  -7.15kcal/molepH: 7.4 T: 2°CAssay Description:Alpha-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kappa opioid receptor (kappa) (cloned i...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DJ5DD3US Patent
TargetDelta-type opioid receptor(Homo sapiens (Human))
Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent
LigandPNGBDBM97710(US8476271, 16 | US9145408, 362)copy SMILEScopy InChI
Affinity DataKi:  4.76E+3nM ΔG°:  -7.26kcal/molepH: 7.4 T: 2°CAssay Description:Beta-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 ug m...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DJ5DD3US Patent
TargetKappa-type opioid receptor(Homo sapiens (Human))
Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent
LigandPNGBDBM97710(US8476271, 16 | US9145408, 362)copy SMILEScopy InChI
Affinity DataKi:  4.76E+3nM ΔG°:  -7.26kcal/molepH: 7.4 T: 2°CAssay Description:In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor. More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2416VNBUS Patent
TargetKappa-type opioid receptor(Homo sapiens (Human))
Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent
LigandPNGBDBM97710(US8476271, 16 | US9145408, 362)copy SMILEScopy InChI
Affinity DataEC50: >2.00E+4nMpH: 7.4 T: 2°CAssay Description:Alpha-Opioid Receptor Functional Assay Procedures: Functional [35S]GTPgammaS binding assays were conducted as follows. Kappa opioid receptor membrane...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DJ5DD3US Patent
TargetOpioid growth factor receptor-like protein 1(Homo sapiens (Human))
Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent
LigandPNGBDBM97710(US8476271, 16 | US9145408, 362)copy SMILEScopy InChI
Affinity DataEC50:  4.03nMpH: 7.4 T: 2°CAssay Description:ORL-1 Receptor [35S]GTPγS Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like (ORL-1) (...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DJ5DD3US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent
LigandPNGBDBM97710(US8476271, 16 | US9145408, 362)copy SMILEScopy InChI
Affinity DataEC50: >2.00E+4nMpH: 7.4 T: 2°CAssay Description:Mu-Opioid Receptor Functional Assay Procedures: [35S]GTP gamma S functional assays were conducted using freshly thawed mu-receptor membranes. Assay r...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DJ5DD3US Patent