Compile Data Set for Download or QSAR

Found 3304 hits with Last Name = 'tafesse' and Initial = 'l'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50133817 (4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...) Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.000950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pudue Pharma Discovery Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 306: 377-86 (2003) Article DOI: 10.1124/jpet.102.045674 BindingDB Entry DOI: 10.7270/Q2TX3CX5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199410 (US9221831, 75) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccc(cc1)C(N)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:30.29:4.3| Show InChI InChI=1S/C32H38N2O5/c1-37-32-11-10-30(15-23(32)18-38-17-20-4-6-21(7-5-20)28(33)36)25-14-22-8-9-24(35)27-26(22)31(30,29(32)39-27)12-13-34(25)16-19-2-3-19/h4-9,19,23,25,29,35H,2-3,10-18H2,1H3,(H2,33,36)/t23-,25-,29-,30-,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199350 (US9221831, 15) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(F)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3| Show InChI InChI=1S/C31H36FNO3/c1-34-31-12-11-29(16-23(31)19-35-18-21-5-3-2-4-6-21)25-15-22-9-10-24(32)27-26(22)30(29,28(31)36-27)13-14-33(25)17-20-7-8-20/h2-6,9-10,20,23,25,28H,7-8,11-19H2,1H3/t23-,25-,28-,29-,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199363 (US9221831, 28) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CNCc1ccccc1)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C32H40N2O3/c1-35-25-11-10-23-16-26-30-12-13-32(36-2,24(17-30)19-33-18-21-6-4-3-5-7-21)29-31(30,27(23)28(25)37-29)14-15-34(26)20-22-8-9-22/h3-7,10-11,22,24,26,29,33H,8-9,12-20H2,1-2H3/t24-,26-,29-,30-,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199407 (US9221831, 72) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(NC(C)=O)c1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C33H40N2O5/c1-20(36)34-25-5-3-4-22(14-25)18-39-19-24-16-31-10-11-33(24,38-2)30-32(31)12-13-35(17-21-6-7-21)27(31)15-23-8-9-26(37)29(40-30)28(23)32/h3-5,8-9,14,21,24,27,30,37H,6-7,10-13,15-19H2,1-2H3,(H,34,36)/t24-,27-,30-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199419 (US9221831, 85) Show SMILES CC[C@H](C)[C@H](N)C(=O)OC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r,TLB:9:10:32.18:13.14| Show InChI InChI=1S/C30H42N2O5/c1-4-17(2)24(31)26(34)36-16-20-14-28-9-10-30(20,35-3)27-29(28)11-12-32(15-18-5-6-18)22(28)13-19-7-8-21(33)25(37-27)23(19)29/h7-8,17-18,20,22,24,27,33H,4-6,9-16,31H2,1-3H3/t17-,20+,22+,24-,27+,28+,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM144350 (US8969358, 101) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C33H41N3O4/c1-39-33-12-11-31(17-23(33)18-35-29(38)24(34)15-20-5-3-2-4-6-20)26-16-22-9-10-25(37)28-27(22)32(31,30(33)40-28)13-14-36(26)19-21-7-8-21/h2-6,9-10,21,23-24,26,30,37H,7-8,11-19,34H2,1H3,(H,35,38)/t23-,24+,26-,30-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0600	-54.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM144354 (US8969358, 105) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CC(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:28.27:4.3| Show InChI InChI=1S/C30H43N3O4/c1-17(2)12-21(31)26(35)32-15-20-14-28-8-9-30(20,36-3)27-29(28)10-11-33(16-18-4-5-18)23(28)13-19-6-7-22(34)25(37-27)24(19)29/h6-7,17-18,20-21,23,27,34H,4-5,8-16,31H2,1-3H3,(H,32,35)/t20-,21+,23-,27-,28-,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0600	-54.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM144355 (US8969358, 106) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)C1CCCN1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3| Show InChI InChI=1S/C29H39N3O4/c1-35-29-9-8-27(14-19(29)15-31-25(34)20-3-2-11-30-20)22-13-18-6-7-21(33)24-23(18)28(27,26(29)36-24)10-12-32(22)16-17-4-5-17/h6-7,17,19-20,22,26,30,33H,2-5,8-16H2,1H3,(H,31,34)/t19-,20?,22-,26-,27-,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0700	-53.9	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM144361 (US8969358, 112) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)CN)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:24.23:4.3| Show InChI InChI=1S/C26H35N3O4/c1-32-26-7-6-24(11-17(26)13-28-20(31)12-27)19-10-16-4-5-18(30)22-21(16)25(24,23(26)33-22)8-9-29(19)14-15-2-3-15/h4-5,15,17,19,23,30H,2-3,6-14,27H2,1H3,(H,28,31)/t17-,19-,23-,24-,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0700	-53.9	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199404 (US9221831, 69) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C#N)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:28.27:4.3| Show InChI InChI=1S/C32H36N2O3/c1-35-32-12-11-30(16-25(32)20-36-19-22-5-3-2-4-6-22)26-15-23-9-10-24(17-33)28-27(23)31(30,29(32)37-28)13-14-34(26)18-21-7-8-21/h2-6,9-10,21,25-26,29H,7-8,11-16,18-20H2,1H3/t25-,26-,29-,30-,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM144373 (US8969358, 124) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNS(=O)(=O)c1ccc(C)cc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:30.29:4.3| Show InChI InChI=1S/C31H38N2O5S/c1-19-3-8-23(9-4-19)39(35,36)32-17-22-16-29-11-12-31(22,37-2)28-30(29)13-14-33(18-20-5-6-20)25(29)15-21-7-10-24(34)27(38-28)26(21)30/h3-4,7-10,20,22,25,28,32,34H,5-6,11-18H2,1-2H3/t22-,25-,28-,29-,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0700	-53.9	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199418 (US9221831, 84) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C33H40N2O5/c1-38-33-12-11-31(17-23(33)19-39-29(37)24(34)15-20-5-3-2-4-6-20)26-16-22-9-10-25(36)28-27(22)32(31,30(33)40-28)13-14-35(26)18-21-7-8-21/h2-6,9-10,21,23-24,26,30,36H,7-8,11-19,34H2,1H3/t23-,24+,26-,30-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM144374 (US8969358, 125) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNS(=O)(=O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:29.28:4.3| Show InChI InChI=1S/C30H36N2O5S/c1-36-30-12-11-28(16-21(30)17-31-38(34,35)22-5-3-2-4-6-22)24-15-20-9-10-23(33)26-25(20)29(28,27(30)37-26)13-14-32(24)18-19-7-8-19/h2-6,9-10,19,21,24,27,31,33H,7-8,11-18H2,1H3/t21-,24-,27-,28-,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0800	-53.6	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM144385 (US8969358, 136) Show SMILES COC12CC[C@@]3(C[C@@H]1CNC(=O)Nc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:29.28:4.3| Show InChI InChI=1S/C31H37N3O4/c1-37-31-12-11-29(16-21(31)17-32-28(36)33-22-5-3-2-4-6-22)24-15-20-9-10-23(35)26-25(20)30(29,27(31)38-26)13-14-34(24)18-19-7-8-19/h2-6,9-10,19,21,24,27,35H,7-8,11-18H2,1H3,(H2,32,33,36)/t21-,24-,27-,29-,30+,31?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0800	-53.6	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199357 (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 |r,TLB:8:7:27.26:4.3| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199353 (US9221831, 18) Show SMILES COc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:22:21:11.12:18.17| Show InChI InChI=1S/C28H33NO4/c1-30-21-9-8-19-14-22-26-10-11-28(31-2,20(15-26)17-32-16-18-6-4-3-5-7-18)25-27(26,12-13-29-22)23(19)24(21)33-25/h3-9,20,22,25,29H,10-17H2,1-2H3/t20-,22-,25-,26-,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM309411 ((2S,3aS,4R,9bS)-N-benzyl-12- (cyclopropylmethyl)-3...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(=O)NCc3ccccc3)c2c1 |r,TLB:8:7:18:30.4.5| Show InChI InChI=1S/C27H32N2O3/c30-22-9-8-20-12-24-27(32)15-21(25(31)28-16-18-4-2-1-3-5-18)14-26(27,23(20)13-22)10-11-29(24)17-19-6-7-19/h1-5,8-9,13,19,21,24,30,32H,6-7,10-12,14-17H2,(H,28,31)/t21-,24+,26+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) use 0.1 nM [3H]-nociceptin (Perkin Elmer, Shelton, Conn.; 87.7 Ci/mmole) with 12 μg...				US Patent US9656962 (2017) BindingDB Entry DOI: 10.7270/Q2K076BH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4203 (US8530494, 6 | US9221831, 10) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,TLB:26:25:15.16:22.21| Show InChI InChI=1S/C32H39NO4/c1-34-25-11-10-23-16-26-30-12-13-32(35-2,24(17-30)20-36-19-22-6-4-3-5-7-22)29-31(30,27(23)28(25)37-29)14-15-33(26)18-21-8-9-21/h3-7,10-11,21,24,26,29H,8-9,12-20H2,1-2H3/t24-,26-,29-,30-,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM142712 (US8937084, 14) Show SMILES C[C@H](N)C(=O)N1CC[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc24)[C@@H]3C1 |r| Show InChI InChI=1S/C22H31N3O2/c1-14(23)21(27)25-9-7-22-6-8-24(12-15-2-3-15)20(19(22)13-25)10-16-4-5-17(26)11-18(16)22/h4-5,11,14-15,19-20,26H,2-3,6-10,12-13,23H2,1H3/t14-,19-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0900	-62.1	n/a	n/a	n/a	n/a	n/a	7.4	50
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane...				US Patent US8937084 (2015) BindingDB Entry DOI: 10.7270/Q2CJ8C5C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM144351 (US8969358, 102) Show SMILES CC[C@H](C)[C@H](N)C(=O)NC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r,TLB:9:10:32.18:13.14| Show InChI InChI=1S/C30H43N3O4/c1-4-17(2)24(31)26(35)32-15-20-14-28-9-10-30(20,36-3)27-29(28)11-12-33(16-18-5-6-18)22(28)13-19-7-8-21(34)25(37-27)23(19)29/h7-8,17-18,20,22,24,27,34H,4-6,9-16,31H2,1-3H3,(H,32,35)/t17-,20+,22+,24-,27+,28+,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0900	-53.3	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199346 (US9221831, 11) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COc1ccc(cc1)-n1ccnc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C33H37N3O4/c1-38-33-11-10-31(17-23(33)19-39-25-7-5-24(6-8-25)36-15-13-34-20-36)27-16-22-4-9-26(37)29-28(22)32(31,30(33)40-29)12-14-35(27)18-21-2-3-21/h4-9,13,15,20-21,23,27,30,37H,2-3,10-12,14,16-19H2,1H3/t23-,27-,30-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM144370 (US8969358, 121) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CC(N)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:28.27:4.3| Show InChI InChI=1S/C28H38N4O5/c1-36-28-7-6-26(12-17(28)13-31-24(35)18(29)11-21(30)34)20-10-16-4-5-19(33)23-22(16)27(26,25(28)37-23)8-9-32(20)14-15-2-3-15/h4-5,15,17-18,20,25,33H,2-3,6-14,29H2,1H3,(H2,30,34)(H,31,35)/t17-,18+,20-,25-,26-,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0900	-53.3	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM309329 ((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(2-guani...) Show SMILES NC(=N)NCCNC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1 |r,TLB:27:26:11:21.15.14| Show InChI InChI=1S/C23H33N5O3/c24-21(25)27-7-6-26-20(30)16-11-22-5-8-28(13-14-1-2-14)19(23(22,31)12-16)9-15-3-4-17(29)10-18(15)22/h3-4,10,14,16,19,29,31H,1-2,5-9,11-13H2,(H,26,30)(H4,24,25,27)/t16-,19-,22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) use 0.1 nM [3H]-nociceptin (Perkin Elmer, Shelton, Conn.; 87.7 Ci/mmole) with 12 μg...				US Patent US9656962 (2017) BindingDB Entry DOI: 10.7270/Q2K076BH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM144386 (US8969358, 137) Show SMILES COC12CC[C@@]3(C[C@@H]1CNC(=O)Nc1cccc(C)c1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:30.29:4.3| Show InChI InChI=1S/C32H39N3O4/c1-19-4-3-5-23(14-19)34-29(37)33-17-22-16-30-10-11-32(22,38-2)28-31(30)12-13-35(18-20-6-7-20)25(30)15-21-8-9-24(36)27(39-28)26(21)31/h3-5,8-9,14,20,22,25,28,36H,6-7,10-13,15-18H2,1-2H3,(H2,33,34,37)/t22-,25-,28-,30-,31+,32?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	-53.1	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199411 (US9221831, 76) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:29.28:4.3| Show InChI InChI=1S/C32H38N2O4/c1-36-32-12-11-30(16-23(32)19-37-18-21-5-3-2-4-6-21)25-15-22-9-10-24(28(33)35)27-26(22)31(30,29(32)38-27)13-14-34(25)17-20-7-8-20/h2-6,9-10,20,23,25,29H,7-8,11-19H2,1H3,(H2,33,35)/t23-,25-,29-,30-,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199425 (US9221831, 91) Show SMILES CNC(=O)Nc1cccc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3N(CC3CC3)CC[C@@]426)ccc5O)c1 |r,TLB:12:13:35.21:16.17| Show InChI InChI=1S/C33H41N3O5/c1-34-30(38)35-24-5-3-4-21(14-24)18-40-19-23-16-31-10-11-33(23,39-2)29-32(31)12-13-36(17-20-6-7-20)26(31)15-22-8-9-25(37)28(41-29)27(22)32/h3-5,8-9,14,20,23,26,29,37H,6-7,10-13,15-19H2,1-2H3,(H2,34,35,38)/t23-,26-,29-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.110	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM144372 (US8969358, 123) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)C1=CNC4C=CC=CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,c:17,19,t:13,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C33H39N3O4/c1-39-33-11-10-31(15-21(33)16-35-29(38)23-17-34-24-5-3-2-4-22(23)24)26-14-20-8-9-25(37)28-27(20)32(31,30(33)40-28)12-13-36(26)18-19-6-7-19/h2-5,8-9,17,19,21-22,24,26,30,34,37H,6-7,10-16,18H2,1H3,(H,35,38)/t21-,22?,24?,26-,30-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.110	-52.8	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM144356 (US8969358, 107) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:32.31:4.3| Show InChI InChI=1S/C33H41N3O5/c1-40-33-11-10-31(16-22(33)17-35-29(39)24(34)14-19-4-7-23(37)8-5-19)26-15-21-6-9-25(38)28-27(21)32(31,30(33)41-28)12-13-36(26)18-20-2-3-20/h4-9,20,22,24,26,30,37-38H,2-3,10-18,34H2,1H3,(H,35,39)/t22-,24+,26-,30-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.130	-52.5	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM144362 (US8969358, 113) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:35.34:4.3| Show InChI InChI=1S/C35H43N3O6/c1-20(39)37-26(15-21-5-8-25(40)9-6-21)31(42)36-18-24-17-33-11-12-35(24,43-2)32-34(33)13-14-38(19-22-3-4-22)28(33)16-23-7-10-27(41)30(44-32)29(23)34/h5-10,22,24,26,28,32,40-41H,3-4,11-19H2,1-2H3,(H,36,42)(H,37,39)/t24-,26+,28-,32-,33-,34+,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.130	-52.5	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM309331 ((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(4-guani...) Show SMILES NC(=N)NCCCCNC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1 |r,TLB:29:28:13:23.17.16| Show InChI InChI=1S/C25H37N5O3/c26-23(27)29-9-2-1-8-28-22(32)18-13-24-7-10-30(15-16-3-4-16)21(25(24,33)14-18)11-17-5-6-19(31)12-20(17)24/h5-6,12,16,18,21,31,33H,1-4,7-11,13-15H2,(H,28,32)(H4,26,27,29)/t18-,21-,24-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) use 0.1 nM [3H]-nociceptin (Perkin Elmer, Shelton, Conn.; 87.7 Ci/mmole) with 12 μg...				US Patent US9656962 (2017) BindingDB Entry DOI: 10.7270/Q2K076BH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM144352 (US8969358, 103) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](C)N)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:25.24:4.3| Show InChI InChI=1S/C27H37N3O4/c1-15(28)23(32)29-13-18-12-25-7-8-27(18,33-2)24-26(25)9-10-30(14-16-3-4-16)20(25)11-17-5-6-19(31)22(34-24)21(17)26/h5-6,15-16,18,20,24,31H,3-4,7-14,28H2,1-2H3,(H,29,32)/t15-,18+,20+,24+,25+,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.140	-52.3	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199366 (US9221831, 31) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CSCc1ccccc1)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C32H39NO3S/c1-34-25-11-10-23-16-26-30-12-13-32(35-2,24(17-30)20-37-19-22-6-4-3-5-7-22)29-31(30,27(23)28(25)36-29)14-15-33(26)18-21-8-9-21/h3-7,10-11,21,24,26,29H,8-9,12-20H2,1-2H3/t24-,26-,29-,30-,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.140	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199365 (US9221831, 30) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CN(Cc1ccccc1)C(C)=O)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C34H42N2O4/c1-22(37)36(20-23-7-5-4-6-8-23)21-26-18-32-13-14-34(26,39-3)31-33(32)15-16-35(19-24-9-10-24)28(32)17-25-11-12-27(38-2)30(40-31)29(25)33/h4-8,11-12,24,26,28,31H,9-10,13-21H2,1-3H3/t26-,28-,31-,32-,33+,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.140	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199420 (US9221831, 86) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@H](C)N)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:25.24:4.3| Show InChI InChI=1S/C27H36N2O5/c1-15(28)23(31)33-14-18-12-25-7-8-27(18,32-2)24-26(25)9-10-29(13-16-3-4-16)20(25)11-17-5-6-19(30)22(34-24)21(17)26/h5-6,15-16,18,20,24,30H,3-4,7-14,28H2,1-2H3/t15-,18+,20+,24+,25+,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	0.140	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199409 (US9221831, 74) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(NC(=O)c4ccccc4)c1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:36.35:4.3| Show InChI InChI=1S/C38H42N2O5/c1-43-38-15-14-36(20-28(38)23-44-22-25-6-5-9-29(18-25)39-34(42)26-7-3-2-4-8-26)31-19-27-12-13-30(41)33-32(27)37(36,35(38)45-33)16-17-40(31)21-24-10-11-24/h2-9,12-13,18,24,28,31,35,41H,10-11,14-17,19-23H2,1H3,(H,39,42)/t28-,31-,35-,36-,37+,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.150	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199361 (US9221831, 26) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1c(C)noc1C)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C31H40N2O5/c1-18-23(19(2)38-32-18)17-36-16-22-14-29-9-10-31(22,35-4)28-30(29)11-12-33(15-20-5-6-20)25(29)13-21-7-8-24(34-3)27(37-28)26(21)30/h7-8,20,22,25,28H,5-6,9-17H2,1-4H3/t22-,25-,28-,29-,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.150	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199356 (US9221831, 21) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:29.28:4.3| Show InChI InChI=1S/C29H34N2O4/c1-31-13-12-28-23-19-8-9-21(25(30)32)24(23)35-26(28)29(33-2)11-10-27(28,22(31)14-19)15-20(29)17-34-16-18-6-4-3-5-7-18/h3-9,20,22,26H,10-17H2,1-2H3,(H2,30,32)/t20-,22-,26-,27-,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.150	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM199419 (US9221831, 85) Show SMILES CC[C@H](C)[C@H](N)C(=O)OC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r,TLB:9:10:32.18:13.14| Show InChI InChI=1S/C30H42N2O5/c1-4-17(2)24(31)26(34)36-16-20-14-28-9-10-30(20,35-3)27-29(28)11-12-32(15-18-5-6-18)22(28)13-19-7-8-21(33)25(37-27)23(19)29/h7-8,17-18,20,22,24,27,33H,4-6,9-16,31H2,1-3H3/t17-,20+,22+,24-,27+,28+,29-,30+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	0.150	-60.8	n/a	n/a	n/a	n/a	n/a	7.4	50
Purdue Pharma, L.P. US Patent					Assay Description Radioligand dose-displacement binding assays for t-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM144360 (US8969358, 111) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:34.33:4.3| Show InChI InChI=1S/C35H43N3O5/c1-21(39)37-26(16-22-6-4-3-5-7-22)31(41)36-19-25-18-33-12-13-35(25,42-2)32-34(33)14-15-38(20-23-8-9-23)28(33)17-24-10-11-27(40)30(43-32)29(24)34/h3-7,10-11,23,25-26,28,32,40H,8-9,12-20H2,1-2H3,(H,36,41)(H,37,39)/t25-,26+,28-,32-,33-,34+,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.160	-52.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM309413 ((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...) Show SMILES Cc1ccc(CNC(=O)[C@@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@]3(C2)CCN4CC2CC2)cc1 |r,TLB:27:26:11:21.15.14| Show InChI InChI=1S/C28H34N2O3/c1-18-2-4-19(5-3-18)16-29-26(32)22-14-27-10-11-30(17-20-6-7-20)25(28(27,33)15-22)12-21-8-9-23(31)13-24(21)27/h2-5,8-9,13,20,22,25,31,33H,6-7,10-12,14-17H2,1H3,(H,29,32)/t22-,25+,27+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) use 0.1 nM [3H]-nociceptin (Perkin Elmer, Shelton, Conn.; 87.7 Ci/mmole) with 12 μg...				US Patent US9656962 (2017) BindingDB Entry DOI: 10.7270/Q2K076BH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM414828 ((6R,6aS,7aS,10aS,11aR)-14- (cyclopropylmethyl)-2,6...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H]5NC(=O)C[C@@H]5C[C@@]34O)c2c1 |r| Show InChI InChI=1S/C22H28N2O3/c25-16-4-3-14-7-19-22(27)10-15-8-20(26)23-18(15)11-21(22,17(14)9-16)5-6-24(19)12-13-1-2-13/h3-4,9,13,15,18-19,25,27H,1-2,5-8,10-12H2,(H,23,26)/t15-,18+,19-,21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description Membranes from recombinantHEK-293 cells, CHO or U-2 OS cells expressing the recombinant human κ opioid receptor (κ) were prepared by lysing...				US Patent US10435406 (2019) BindingDB Entry DOI: 10.7270/Q2RB770F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM144364 (US8969358, 115) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:30.29:4.3| Show InChI InChI=1S/C31H41N3O5/c1-18(35)34-12-3-4-22(34)27(37)32-16-21-15-29-9-10-31(21,38-2)28-30(29)11-13-33(17-19-5-6-19)24(29)14-20-7-8-23(36)26(39-28)25(20)30/h7-8,19,21-22,24,28,36H,3-6,9-17H2,1-2H3,(H,32,37)/t21-,22+,24-,28-,29-,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.160	-52.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM144378 (US8969358, 129) Show SMILES COC12CC[C@@]3(C[C@@H]1CNC(=O)CCC(N)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3| Show InChI InChI=1S/C28H37N3O5/c1-35-28-9-8-26(13-18(28)14-30-22(34)7-6-21(29)33)20-12-17-4-5-19(32)24-23(17)27(26,25(28)36-24)10-11-31(20)15-16-2-3-16/h4-5,16,18,20,25,32H,2-3,6-15H2,1H3,(H2,29,33)(H,30,34)/t18-,20-,25-,26-,27+,28?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.170	-51.8	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM144353 (US8969358, 104) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CO)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:26.25:4.3| Show InChI InChI=1S/C27H37N3O5/c1-34-27-7-6-25(11-17(27)12-29-23(33)18(28)14-31)20-10-16-4-5-19(32)22-21(16)26(25,24(27)35-22)8-9-30(20)13-15-2-3-15/h4-5,15,17-18,20,24,31-32H,2-3,6-14,28H2,1H3,(H,29,33)/t17-,18+,20-,24-,25-,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.180	-51.7	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P. US Patent					Assay Description Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...				US Patent US8969358 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PXG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM142705 (US8937084, 7) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CNC(=O)C[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C19H24N2O2/c22-14-4-3-13-7-17-16-10-20-18(23)9-19(16,15(13)8-14)5-6-21(17)11-12-1-2-12/h3-4,8,12,16-17,22H,1-2,5-7,9-11H2,(H,20,23)/t16-,17+,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.180	-60.3	n/a	n/a	n/a	n/a	n/a	7.4	50
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane...				US Patent US8937084 (2015) BindingDB Entry DOI: 10.7270/Q2CJ8C5C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM199418 (US9221831, 84) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C33H40N2O5/c1-38-33-12-11-31(17-23(33)19-39-29(37)24(34)15-20-5-3-2-4-6-20)26-16-22-9-10-25(36)28-27(22)32(31,30(33)40-28)13-14-35(26)18-21-7-8-21/h2-6,9-10,21,23-24,26,30,36H,7-8,11-19,34H2,1H3/t23-,24+,26-,30-,31-,32+,33-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	0.190	-60.1	n/a	n/a	n/a	n/a	n/a	7.4	50
Purdue Pharma, L.P. US Patent					Assay Description Radioligand dose-displacement binding assays for t-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM150207 (US8980906, 7) Show SMILES NC(=O)c1cc2C[C@H]3[C@H]4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)Cc2[nH]c1=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.190	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P. US Patent					Assay 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...				US Patent US8980906 (2015) BindingDB Entry DOI: 10.7270/Q2W37V15
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199340 (US9221831, 4) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(F)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:27.26:4.3| Show InChI InChI=1S/C28H32FNO3/c1-30-13-12-27-23-19-8-9-21(29)24(23)33-25(27)28(31-2)11-10-26(27,22(30)14-19)15-20(28)17-32-16-18-6-4-3-5-7-18/h3-9,20,22,25H,10-17H2,1-2H3/t20-,22-,25-,26-,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.190	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199408 (US9221831, 73) Show SMILES COC(=O)COc1cccc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3N(CC3CC3)CC[C@@]426)ccc5O)c1 |r,TLB:13:14:36.22:17.18| Show InChI InChI=1S/C34H41NO7/c1-38-28(37)20-41-25-5-3-4-22(14-25)18-40-19-24-16-32-10-11-34(24,39-2)31-33(32)12-13-35(17-21-6-7-21)27(32)15-23-8-9-26(36)30(42-31)29(23)33/h3-5,8-9,14,21,24,27,31,36H,6-7,10-13,15-20H2,1-2H3/t24-,27-,31-,32-,33+,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay 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...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair

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