BDBM199357 US9221831, 22

SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1)c45

InChI Key InChIKey=ADMSKYBLTWMPPO-QGUHJXFESA-N

Data  4 KI  4 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 199357   

TargetKappa-type opioid receptor(Homo sapiens (Human))
Purdue Pharma LP

US Patent
LigandPNGBDBM199357(US9221831, 22)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1)c45
Show InChI InChI=1S/C27H31NO4/c1-30-27-10-9-25(14-19(27)16-31-15-17-5-3-2-4-6-17)21-13-18-7-8-20(29)23-22(18)26(25,11-12-28-21)24(27)32-23/h2-8,19,21,24,28-29H,9-16H2,1H3/t19-,21-,24-,25-,26+,27-/m1/s1
Affinity DataKi:  0.0800nMpH: 7.4Assay 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 (recomb...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Purdue Pharma LP

US Patent
LigandPNGBDBM199357(US9221831, 22)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1)c45
Show InChI InChI=1S/C27H31NO4/c1-30-27-10-9-25(14-19(27)16-31-15-17-5-3-2-4-6-17)21-13-18-7-8-20(29)23-22(18)26(25,11-12-28-21)24(27)32-23/h2-8,19,21,24,28-29H,9-16H2,1H3/t19-,21-,24-,25-,26+,27-/m1/s1
Affinity DataKi:  1.33nM ΔG°:  -13.1kcal/molepH: 7.4 T: 2°CAssay Description:Radioligand dose-displacement binding assays for t-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Purdue Pharma LP

US Patent
LigandPNGBDBM199357(US9221831, 22)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1)c45
Show InChI InChI=1S/C27H31NO4/c1-30-27-10-9-25(14-19(27)16-31-15-17-5-3-2-4-6-17)21-13-18-7-8-20(29)23-22(18)26(25,11-12-28-21)24(27)32-23/h2-8,19,21,24,28-29H,9-16H2,1H3/t19-,21-,24-,25-,26+,27-/m1/s1
Affinity DataKi:  13.8nM ΔG°:  -10.7kcal/molepH: 7.4 T: 2°CAssay Description:Delta-opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displacement assays used 0.3 nM [3H]-Naltrindole (Perkin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOpioid growth factor receptor-like protein 1(Homo sapiens (Human))
Purdue Pharma LP

US Patent
LigandPNGBDBM199357(US9221831, 22)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1)c45
Show InChI InChI=1S/C27H31NO4/c1-30-27-10-9-25(14-19(27)16-31-15-17-5-3-2-4-6-17)21-13-18-7-8-20(29)23-22(18)26(25,11-12-28-21)24(27)32-23/h2-8,19,21,24,28-29H,9-16H2,1H3/t19-,21-,24-,25-,26+,27-/m1/s1
Affinity DataKi:  145nM ΔG°:  -10.1kcal/molepH: 7.4 T: 2°CAssay Description:Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (Perkin Elmer, Shelton, Conn.; 87.7 Ci/mmole) with 12 ug mem...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Purdue Pharma LP

US Patent
LigandPNGBDBM199357(US9221831, 22)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1)c45
Show InChI InChI=1S/C27H31NO4/c1-30-27-10-9-25(14-19(27)16-31-15-17-5-3-2-4-6-17)21-13-18-7-8-20(29)23-22(18)26(25,11-12-28-21)24(27)32-23/h2-8,19,21,24,28-29H,9-16H2,1H3/t19-,21-,24-,25-,26+,27-/m1/s1
Affinity DataEC50:  17.3nMpH: 7.4 T: 2°CAssay Description:Functional [35S]GTPgammaS binding assays were conducted as follows. Delta opioid receptor membrane solution was prepared by sequentially adding fin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOpioid growth factor receptor-like protein 1(Homo sapiens (Human))
Purdue Pharma LP

US Patent
LigandPNGBDBM199357(US9221831, 22)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1)c45
Show InChI InChI=1S/C27H31NO4/c1-30-27-10-9-25(14-19(27)16-31-15-17-5-3-2-4-6-17)21-13-18-7-8-20(29)23-22(18)26(25,11-12-28-21)24(27)32-23/h2-8,19,21,24,28-29H,9-16H2,1H3/t19-,21-,24-,25-,26+,27-/m1/s1
Affinity DataEC50:  2.44E+3nMpH: 7.4 T: 2°CAssay Description:Functional [35S]GTPgammaS binding assays were conducted as follows. ORL-1 membrane solution was prepared by sequentially adding final concentrations ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Purdue Pharma LP

US Patent
LigandPNGBDBM199357(US9221831, 22)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1)c45
Show InChI InChI=1S/C27H31NO4/c1-30-27-10-9-25(14-19(27)16-31-15-17-5-3-2-4-6-17)21-13-18-7-8-20(29)23-22(18)26(25,11-12-28-21)24(27)32-23/h2-8,19,21,24,28-29H,9-16H2,1H3/t19-,21-,24-,25-,26+,27-/m1/s1
Affinity DataEC50:  9.22nMpH: 7.4 T: 2°CAssay Description:[35S]GTPgammaS functional assays were conducted using freshly thawed u-receptor membranes (Perkin Elmer, Shelton, Conn.). Assay reactions were prepa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Homo sapiens (Human))
Purdue Pharma LP

US Patent
LigandPNGBDBM199357(US9221831, 22)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1)c45
Show InChI InChI=1S/C27H31NO4/c1-30-27-10-9-25(14-19(27)16-31-15-17-5-3-2-4-6-17)21-13-18-7-8-20(29)23-22(18)26(25,11-12-28-21)24(27)32-23/h2-8,19,21,24,28-29H,9-16H2,1H3/t19-,21-,24-,25-,26+,27-/m1/s1
Affinity DataEC50:  0.840nMpH: 7.4 T: 2°CAssay Description:Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid