Compile Data Set for Download or QSAR

Found 88 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 7525   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199337 (US9221831, 1) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C31H39NO5/c1-20-6-4-5-7-22(20)18-35-19-23-17-29-10-11-31(23,34-3)28-30(29)12-13-32(2)25(29)16-21-8-9-24(36-15-14-33)27(37-28)26(21)30/h4-9,23,25,28,33H,10-19H2,1-3H3/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	n/a	n/a	n/a	n/a	3.94	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199338 (US9221831, 2) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(N)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:27.26:4.3| Show InChI InChI=1S/C28H34N2O3/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,10-17,29H2,1-2H3/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	n/a	n/a	n/a	n/a	40.4	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199339 (US9221831, 3) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C=C)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:28.27:4.3| Show InChI InChI=1S/C30H35NO3/c1-4-21-10-11-22-16-24-28-12-13-30(32-3,23(17-28)19-33-18-20-8-6-5-7-9-20)27-29(28,14-15-31(24)2)25(22)26(21)34-27/h4-11,23-24,27H,1,12-19H2,2-3H3/t23-,24-,27-,28-,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.82	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					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	n/a	n/a	n/a	n/a	22.8	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199341 (US9221831, 5) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COc1ccc(cc1)-n1ccnc1)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C34H39N3O4/c1-38-27-10-5-23-17-28-32-11-12-34(39-2,24(18-32)20-40-26-8-6-25(7-9-26)37-16-14-35-21-37)31-33(32,29(23)30(27)41-31)13-15-36(28)19-22-3-4-22/h5-10,14,16,21-22,24,28,31H,3-4,11-13,15,17-20H2,1-2H3/t24-,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	n/a	n/a	n/a	n/a	5.46E+3	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199342 (US9221831, 6) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CSc1nc2ccccc2s1)OC |r,THB:23:22:12.13:19.18| Show InChI InChI=1S/C29H32N2O3S2/c1-31-13-12-28-23-17-8-9-20(32-2)24(23)34-25(28)29(33-3)11-10-27(28,22(31)14-17)15-18(29)16-35-26-30-19-6-4-5-7-21(19)36-26/h4-9,18,22,25H,10-16H2,1-3H3/t18-,22-,25-,27-,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	577	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199343 (US9221831, 7) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CSc1nc2ccccc2s1)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C32H36N2O3S2/c1-35-23-10-9-20-15-25-30-11-12-32(36-2,21(16-30)18-38-29-33-22-5-3-4-6-24(22)39-29)28-31(30,26(20)27(23)37-28)13-14-34(25)17-19-7-8-19/h3-6,9-10,19,21,25,28H,7-8,11-18H2,1-2H3/t21-,25-,28-,30-,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	63.8	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199344 (US9221831, 8) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COc1ccc(cc1)-n1ccnc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C30H33N3O4/c1-32-13-11-29-25-19-3-8-23(34)26(25)37-27(29)30(35-2)10-9-28(29,24(32)15-19)16-20(30)17-36-22-6-4-21(5-7-22)33-14-12-31-18-33/h3-8,12,14,18,20,24,27,34H,9-11,13,15-17H2,1-2H3/t20-,24-,27-,28-,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	129	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199345 (US9221831, 9) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CSc1nc(C)ns1)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C28H35N3O3S2/c1-16-29-25(36-30-16)35-15-19-13-26-8-9-28(19,33-3)24-27(26)10-11-31(14-17-4-5-17)21(26)12-18-6-7-20(32-2)23(34-24)22(18)27/h6-7,17,19,21,24H,4-5,8-15H2,1-3H3/t19-,21-,24-,26-,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	890	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					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	n/a	n/a	n/a	n/a	4.27	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199348 (US9221831, 13) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CSc1nncs1)OC |r,THB:23:22:12.13:19.18| Show InChI InChI=1S/C24H29N3O3S2/c1-27-9-8-23-18-14-4-5-16(28-2)19(18)30-20(23)24(29-3)7-6-22(23,17(27)10-14)11-15(24)12-31-21-26-25-13-32-21/h4-5,13,15,17,20H,6-12H2,1-3H3/t15-,17-,20-,22-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.03E+4	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199349 (US9221831, 14) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CSc1nncs1)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C27H33N3O3S2/c1-31-19-6-5-17-11-20-25-7-8-27(32-2,18(12-25)14-34-24-29-28-15-35-24)23-26(25,21(17)22(19)33-23)9-10-30(20)13-16-3-4-16/h5-6,15-16,18,20,23H,3-4,7-14H2,1-2H3/t18-,20-,23-,25-,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	192	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				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	n/a	n/a	n/a	n/a	1.5	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199351 (US9221831, 16) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(NS(C)(=O)=O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C29H36N2O5S/c1-31-14-13-28-24-20-9-10-22(30-37(3,32)33)25(24)36-26(28)29(34-2)12-11-27(28,23(31)15-20)16-21(29)18-35-17-19-7-5-4-6-8-19/h4-10,21,23,26,30H,11-18H2,1-3H3/t21-,23-,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	n/a	n/a	n/a	n/a	70.7	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199352 (US9221831, 17) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(NC(C)=O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:30.29:4.3| Show InChI InChI=1S/C30H36N2O4/c1-19(33)31-23-10-9-21-15-24-28-11-12-30(34-3,22(16-28)18-35-17-20-7-5-4-6-8-20)27-29(28,13-14-32(24)2)25(21)26(23)36-27/h4-10,22,24,27H,11-18H2,1-3H3,(H,31,33)/t22-,24-,27-,28-,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	951	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				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	n/a	n/a	n/a	n/a	22.5	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199354 (US9221831, 19) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(Br)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3| Show InChI InChI=1S/C31H36BrNO3/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	n/a	n/a	n/a	n/a	9.46	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199355 (US9221831, 20) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C#N)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:28.27:4.3| Show InChI InChI=1S/C29H32N2O3/c1-31-13-12-28-24-20-8-9-21(16-30)25(24)34-26(28)29(32-2)11-10-27(28,23(31)14-20)15-22(29)18-33-17-19-6-4-3-5-7-19/h3-9,22-23,26H,10-15,17-18H2,1-2H3/t22-,23-,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	n/a	n/a	n/a	n/a	86.5	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				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	n/a	n/a	n/a	n/a	13.3	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					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	n/a	n/a	n/a	n/a	0.840	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199358 (US9221831, 23) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(O)=O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:29.28:4.3| Show InChI InChI=1S/C29H33NO5/c1-30-13-12-28-23-19-8-9-21(25(31)32)24(23)35-26(28)29(33-2)11-10-27(28,22(30)14-19)15-20(29)17-34-16-18-6-4-3-5-7-18/h3-9,20,22,26H,10-17H2,1-2H3,(H,31,32)/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	n/a	n/a	n/a	n/a	156	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199359 (US9221831, 24) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1c(C)noc1C)OC |r,THB:23:22:12.13:19.18| Show InChI InChI=1S/C28H36N2O5/c1-16-20(17(2)35-29-16)15-33-14-19-13-26-8-9-28(19,32-5)25-27(26)10-11-30(3)22(26)12-18-6-7-21(31-4)24(34-25)23(18)27/h6-7,19,22,25H,8-15H2,1-5H3/t19-,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	n/a	n/a	n/a	n/a	196	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199360 (US9221831, 25) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1cc4ccccc4s1)[C@H]1Cc4ccc(OCCO)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:33.32:4.3| Show InChI InChI=1S/C35H41NO5S/c1-38-35-11-10-33(18-25(35)20-39-21-26-16-23-4-2-3-5-28(23)42-26)29-17-24-8-9-27(40-15-14-37)31-30(24)34(33,32(35)41-31)12-13-36(29)19-22-6-7-22/h2-5,8-9,16,22,25,29,32,37H,6-7,10-15,17-21H2,1H3/t25-,29-,32-,33-,34+,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.62	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				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	n/a	n/a	n/a	n/a	21.1	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199362 (US9221831, 27) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3| Show InChI InChI=1S/C31H38N2O3/c1-35-31-12-11-29(16-23(31)18-32-17-20-5-3-2-4-6-20)25-15-22-9-10-24(34)27-26(22)30(29,28(31)36-27)13-14-33(25)19-21-7-8-21/h2-6,9-10,21,23,25,28,32,34H,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	n/a	n/a	n/a	n/a	108	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				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	n/a	n/a	n/a	n/a	8.42	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199364 (US9221831, 29) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CN(Cc1ccccc1)S(C)(=O)=O)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C33H42N2O5S/c1-38-26-12-11-24-17-27-31-13-14-33(39-2,25(18-31)21-35(41(3,36)37)20-22-7-5-4-6-8-22)30-32(31,28(24)29(26)40-30)15-16-34(27)19-23-9-10-23/h4-8,11-12,23,25,27,30H,9-10,13-21H2,1-3H3/t25-,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	n/a	n/a	n/a	n/a	80.5	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				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	n/a	n/a	n/a	n/a	8.13	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					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	n/a	n/a	n/a	n/a	2.29	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199367 (US9221831, 32) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CS(=O)Cc1ccccc1)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C32H39NO4S/c1-35-25-11-10-23-16-26-30-12-13-32(36-2,24(17-30)20-38(34)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-,38?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9.08	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199368 (US9221831, 33) Show SMILES COCCOCCOCCOC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC |r,TLB:11:12:34.20:15.16| Show InChI InChI=1S/C32H47NO7/c1-34-12-13-37-14-15-38-16-17-39-21-24-19-30-8-9-32(24,36-3)29-31(30)10-11-33(20-22-4-5-22)26(30)18-23-6-7-25(35-2)28(40-29)27(23)31/h6-7,22,24,26,29H,4-5,8-21H2,1-3H3/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	n/a	n/a	n/a	n/a	664	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199369 (US9221831, 34) Show SMILES COCCOCCOCCOCCOCCOC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC |r,TLB:17:18:40.26:21.22| Show InChI InChI=1S/C36H55NO9/c1-38-12-13-41-14-15-42-16-17-43-18-19-44-20-21-45-25-28-23-34-8-9-36(28,40-3)33-35(34)10-11-37(24-26-4-5-26)30(34)22-27-6-7-29(39-2)32(46-33)31(27)35/h6-7,26,28,30,33H,4-5,8-25H2,1-3H3/t28-,30-,33-,34-,35+,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	817	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199370 (US9221831, 35) Show SMILES COCCOCCOCCOc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:35:34:24.25:31.30| Show InChI InChI=1S/C38H51NO7/c1-40-16-17-42-18-19-43-20-21-45-31-11-10-29-22-32-36-12-13-38(41-2,30(23-36)26-44-25-28-6-4-3-5-7-28)35-37(36,33(29)34(31)46-35)14-15-39(32)24-27-8-9-27/h3-7,10-11,27,30,32,35H,8-9,12-26H2,1-2H3/t30-,32-,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	n/a	n/a	n/a	n/a	11.4	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199371 (US9221831, 36) Show SMILES COCCOCCOCCOCCOCCOc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:41:40:30.31:37.36| Show InChI InChI=1S/C42H59NO9/c1-44-16-17-46-18-19-47-20-21-48-22-23-49-24-25-51-35-11-10-33-26-36-40-12-13-42(45-2,34(27-40)30-50-29-32-6-4-3-5-7-32)39-41(40,37(33)38(35)52-39)14-15-43(36)28-31-8-9-31/h3-7,10-11,31,34,36,39H,8-9,12-30H2,1-2H3/t34-,36-,39-,40-,41+,42-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	42.2	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199372 (US9221831, 37) Show SMILES COCCOCCOCCOc1ccc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3N(CC3CC3)CC[C@@]426)ccc5OC)cc1 |r,TLB:17:18:40.26:21.22| Show InChI InChI=1S/C39H53NO8/c1-41-16-17-44-18-19-45-20-21-47-31-9-6-28(7-10-31)25-46-26-30-23-37-12-13-39(30,43-3)36-38(37)14-15-40(24-27-4-5-27)33(37)22-29-8-11-32(42-2)35(48-36)34(29)38/h6-11,27,30,33,36H,4-5,12-26H2,1-3H3/t30-,33-,36-,37-,38+,39-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.64E+3	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199374 (US9221831, 39) Show SMILES COC(=O)COc1ccc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3N(CC3CC3)CC[C@@]426)ccc5OC)cc1 |r,TLB:12:13:35.21:16.17| Show InChI InChI=1S/C35H43NO7/c1-38-27-11-8-24-16-28-33-12-13-35(40-3,32-34(33,30(24)31(27)43-32)14-15-36(28)18-22-4-5-22)25(17-33)20-41-19-23-6-9-26(10-7-23)42-21-29(37)39-2/h6-11,22,25,28,32H,4-5,12-21H2,1-3H3/t25-,28-,32-,33-,34+,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	95.1	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199375 (US9221831, 40) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(OCC(O)=O)cc1)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C34H41NO7/c1-38-26-10-7-23-15-27-32-11-12-34(39-2,24(16-32)19-40-18-22-5-8-25(9-6-22)41-20-28(36)37)31-33(32,29(23)30(26)42-31)13-14-35(27)17-21-3-4-21/h5-10,21,24,27,31H,3-4,11-20H2,1-2H3,(H,36,37)/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	n/a	n/a	n/a	n/a	202	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199376 (US9221831, 41) Show SMILES COc1ccc2C[C@H]3N(CCC(N)=O)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:27:26:16.17:23.22| Show InChI InChI=1S/C31H38N2O5/c1-35-23-9-8-21-16-24-29-11-12-31(36-2,22(17-29)19-37-18-20-6-4-3-5-7-20)28-30(29,26(21)27(23)38-28)13-15-33(24)14-10-25(32)34/h3-9,22,24,28H,10-19H2,1-2H3,(H2,32,34)/t22-,24-,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	n/a	n/a	n/a	n/a	51.9	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199377 (US9221831, 42) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CNCC(O)=O)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C27H36N2O5/c1-32-19-6-5-17-11-20-25-7-8-27(33-2,18(12-25)13-28-14-21(30)31)24-26(25,22(17)23(19)34-24)9-10-29(20)15-16-3-4-16/h5-6,16,18,20,24,28H,3-4,7-15H2,1-2H3,(H,30,31)/t18-,20-,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	n/a	n/a	n/a	n/a	964	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199379 (US9221831, 44) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CNCC(N)=O)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C27H37N3O4/c1-32-19-6-5-17-11-20-25-7-8-27(33-2,18(12-25)13-29-14-21(28)31)24-26(25,22(17)23(19)34-24)9-10-30(20)15-16-3-4-16/h5-6,16,18,20,24,29H,3-4,7-15H2,1-2H3,(H2,28,31)/t18-,20-,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	n/a	n/a	n/a	n/a	1.25E+3	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199380 (US9221831, 45) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC(N)=O)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C27H36N2O5/c1-31-19-6-5-17-11-20-25-7-8-27(32-2,18(12-25)14-33-15-21(28)30)24-26(25,22(17)23(19)34-24)9-10-29(20)13-16-3-4-16/h5-6,16,18,20,24H,3-4,7-15H2,1-2H3,(H2,28,30)/t18-,20-,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	n/a	n/a	n/a	n/a	1.44E+3	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199381 (US9221831, 46) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(CC(O)=O)cc1)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C34H41NO6/c1-38-26-10-9-24-16-27-32-11-12-34(39-2,25(17-32)20-40-19-23-7-3-21(4-8-23)15-28(36)37)31-33(32,29(24)30(26)41-31)13-14-35(27)18-22-5-6-22/h3-4,7-10,22,25,27,31H,5-6,11-20H2,1-2H3,(H,36,37)/t25-,27-,31-,32-,33+,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	901	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199382 (US9221831, 47) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(O)CO)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,w:23.25,TLB:8:7:30.29:4.3| Show InChI InChI=1S/C33H41NO5/c1-37-33-12-11-31(16-24(33)20-38-19-22-5-3-2-4-6-22)27-15-23-9-10-25(26(36)18-35)29-28(23)32(31,30(33)39-29)13-14-34(27)17-21-7-8-21/h2-6,9-10,21,24,26-27,30,35-36H,7-8,11-20H2,1H3/t24-,26?,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	n/a	n/a	n/a	n/a	462	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199383 (US9221831, 48) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(NC(N)=O)c1)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C33H41N3O5/c1-38-25-9-8-22-15-26-31-10-11-33(39-2,23(16-31)19-40-18-21-4-3-5-24(14-21)35-30(34)37)29-32(31,27(22)28(25)41-29)12-13-36(26)17-20-6-7-20/h3-5,8-9,14,20,23,26,29H,6-7,10-13,15-19H2,1-2H3,(H3,34,35,37)/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	n/a	n/a	n/a	n/a	53.5	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199384 (US9221831, 49) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COC(=O)[C@@H](N)Cc1ccccc1)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C34H42N2O5/c1-38-26-11-10-23-17-27-32-12-13-34(39-2,24(18-32)20-40-30(37)25(35)16-21-6-4-3-5-7-21)31-33(32,28(23)29(26)41-31)14-15-36(27)19-22-8-9-22/h3-7,10-11,22,24-25,27,31H,8-9,12-20,35H2,1-2H3/t24-,25+,27-,31-,32-,33+,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	82.3	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199385 (US9221831, 50) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(NCC(O)=O)c1)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C34H42N2O6/c1-39-26-9-8-23-15-27-32-10-11-34(40-2,24(16-32)20-41-19-22-4-3-5-25(14-22)35-17-28(37)38)31-33(32,29(23)30(26)42-31)12-13-36(27)18-21-6-7-21/h3-5,8-9,14,21,24,27,31,35H,6-7,10-13,15-20H2,1-2H3,(H,37,38)/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	n/a	n/a	n/a	n/a	129	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199386 (US9221831, 51) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)c1ccccc1 |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C37H41NO3/c1-39-30-15-14-27-20-31-35-16-17-36(28-10-6-3-7-11-28,29(21-35)24-40-23-26-8-4-2-5-9-26)34-37(35,32(27)33(30)41-34)18-19-38(31)22-25-12-13-25/h2-11,14-15,25,29,31,34H,12-13,16-24H2,1H3/t29-,31-,34+,35-,36-,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	14.6	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199390 (US9221831, 55) Show SMILES CCCc1cc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3N(C)CC[C@@]426)ccc5OC)on1 |r,TLB:8:9:28.17:12.13| Show InChI InChI=1S/C29H38N2O5/c1-5-6-20-14-21(36-30-20)17-34-16-19-15-27-9-10-29(19,33-4)26-28(27)11-12-31(2)23(27)13-18-7-8-22(32-3)25(35-26)24(18)28/h7-8,14,19,23,26H,5-6,9-13,15-17H2,1-4H3/t19-,23-,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	n/a	n/a	n/a	n/a	645	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199391 (US9221831, 56) Show SMILES COc1ccc2C[C@H]3N(CCC(O)=O)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:27:26:16.17:23.22| Show InChI InChI=1S/C31H37NO6/c1-35-23-9-8-21-16-24-29-11-12-31(36-2,22(17-29)19-37-18-20-6-4-3-5-7-20)28-30(29,26(21)27(23)38-28)13-15-32(24)14-10-25(33)34/h3-9,22,24,28H,10-19H2,1-2H3,(H,33,34)/t22-,24-,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	n/a	n/a	n/a	n/a	513	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199392 (US9221831, 57) Show SMILES COc1ccc2C[C@H]3N(CC(O)=O)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C30H35NO6/c1-34-22-9-8-20-14-23-28-10-11-30(35-2,21(15-28)18-36-17-19-6-4-3-5-7-19)27-29(28,25(20)26(22)37-27)12-13-31(23)16-24(32)33/h3-9,21,23,27H,10-18H2,1-2H3,(H,32,33)/t21-,23-,27-,28-,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	418	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair

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