Compile Data Set for Download or QSAR

Found 1266 hits with Last Name = 'goehring' and Initial = 'rr'   

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))	BDBM3916 (US8530494, 206) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC |r,TLB:23:22:12.13:19.18| Show InChI InChI=1S/C29H33Cl2NO4/c1-32-11-10-28-24-18-5-7-22(33-2)25(24)36-26(28)29(34-3)9-8-27(28,23(32)13-18)14-19(29)16-35-15-17-4-6-20(30)21(31)12-17/h4-7,12,19,23,26H,8-11,13-16H2,1-3H3/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 Similars	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM3992 (US8530494, 201) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCCCC1)OC |r,TLB:23:22:12.13:19.18| Show InChI InChI=1S/C29H41NO4/c1-30-14-13-28-24-20-9-10-22(31-2)25(24)34-26(28)29(32-3)12-11-27(28,23(30)15-20)16-21(29)18-33-17-19-7-5-4-6-8-19/h9-10,19,21,23,26H,4-8,11-18H2,1-3H3/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 Similars	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4009 (US8530494, 207) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(C)c1)OC |r,TLB:23:22:12.13:19.18| Show InChI InChI=1S/C30H37NO4/c1-19-6-5-7-20(14-19)17-34-18-22-16-28-10-11-30(22,33-4)27-29(28)12-13-31(2)24(28)15-21-8-9-23(32-3)26(35-27)25(21)29/h5-9,14,22,24,27H,10-13,15-18H2,1-4H3/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 Similars	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4049 (US8530494, 111) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1C)OC |r,TLB:26:25:15.16:22.21| Show InChI InChI=1S/C33H41NO4/c1-21-6-4-5-7-24(21)19-37-20-25-17-31-12-13-33(25,36-3)30-32(31)14-15-34(18-22-8-9-22)27(31)16-23-10-11-26(35-2)29(38-30)28(23)32/h4-7,10-11,22,25,27,30H,8-9,12-20H2,1-3H3/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 Similars	US Patent	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4062 (US8530494, 213) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc2ccccc12)OC |r,TLB:23:22:12.13:19.18| Show InChI InChI=1S/C33H37NO4/c1-34-16-15-32-28-22-11-12-26(35-2)29(28)38-30(32)33(36-3)14-13-31(32,27(34)17-22)18-24(33)20-37-19-23-9-6-8-21-7-4-5-10-25(21)23/h4-12,24,27,30H,13-20H2,1-3H3/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 Similars	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4200 (US8530494, 210) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1C)OC |r,TLB:23:22:12.13:19.18| Show InChI InChI=1S/C30H37NO4/c1-19-7-5-6-8-21(19)17-34-18-22-16-28-11-12-30(22,33-4)27-29(28)13-14-31(2)24(28)15-20-9-10-23(32-3)26(35-27)25(20)29/h5-10,22,24,27H,11-18H2,1-4H3/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 Similars	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					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	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4205 (US8530494, 203) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)cc1)OC |r,TLB:23:22:12.13:19.18| Show InChI InChI=1S/C29H34ClNO4/c1-31-13-12-28-24-19-6-9-22(32-2)25(24)35-26(28)29(33-3)11-10-27(28,23(31)14-19)15-20(29)17-34-16-18-4-7-21(30)8-5-18/h4-9,20,23,26H,10-17H2,1-3H3/t20-,23-,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	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4209 (US8530494, 107) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(C)c1)OC |r,TLB:26:25:15.16:22.21| Show InChI InChI=1S/C33H41NO4/c1-21-5-4-6-23(15-21)19-37-20-25-17-31-11-12-33(25,36-3)30-32(31)13-14-34(18-22-7-8-22)27(31)16-24-9-10-26(35-2)29(38-30)28(24)32/h4-6,9-10,15,22,25,27,30H,7-8,11-14,16-20H2,1-3H3/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 Similars	US Patent	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4249 (US8530494, 50) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCC1)OC |r,TLB:23:22:12.13:19.18| Show InChI InChI=1S/C27H37NO4/c1-28-12-11-26-22-18-7-8-20(29-2)23(22)32-24(26)27(30-3)10-9-25(26,21(28)13-18)14-19(27)16-31-15-17-5-4-6-17/h7-8,17,19,21,24H,4-6,9-16H2,1-3H3/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 Similars	US Patent	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4211 (US8530494, 101) 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/C32H45NO4/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/h10-11,21-22,24,26,29H,3-9,12-20H2,1-2H3/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	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50052513 (8-Methyl-3-(2-oxo-propyl)-1-phenethyl-1,3,8-triaza...) Show SMILES CN1CCC2(CC1)N(CCc1ccccc1)CN(CC(C)=O)C2=O Show InChI InChI=1S/C19H27N3O2/c1-16(23)14-21-15-22(11-8-17-6-4-3-5-7-17)19(18(21)24)9-12-20(2)13-10-19/h3-7H,8-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scios Nova, Inc. Curated by ChEMBL					Assay Description Affinity to human Bradykinin receptor B2 in CHO cell membranes determined by displacement of [3H]-NPC 17731				J Med Chem 39: 3169-73 (1996) Article DOI: 10.1021/jm950676i BindingDB Entry DOI: 10.7270/Q2C24VH9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4207 (US8530494, 103) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COc1ccccc1)OC |r,TLB:26:25:15.16:22.21| Show InChI InChI=1S/C31H37NO4/c1-33-24-11-10-21-16-25-29-12-13-31(34-2,22(17-29)19-35-23-6-4-3-5-7-23)28-30(29,26(21)27(24)36-28)14-15-32(25)18-20-8-9-20/h3-7,10-11,20,22,25,28H,8-9,12-19H2,1-2H3/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	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4267 (US8530494, 11) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCc1ccccc1)OC |r| Show InChI InChI=1S/C29H35NO4/c1-30-14-13-28-24-20-9-10-22(31-2)25(24)34-26(28)29(32-3)12-11-27(28,23(30)15-20)16-21(29)18-33-17-19-7-5-4-6-8-19/h4-10,21,23,26H,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 Similars	US Patent	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50004178 (Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP Curated by ChEMBL					Assay Description Inhibition of [3H]nociceptin binding to human Opioid receptor like 1				Bioorg Med Chem Lett 14: 5045-50 (2004) Article DOI: 10.1016/j.bmcl.2004.08.001 BindingDB Entry DOI: 10.7270/Q2TM7BV8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM151177 (BDBM151178 | US8987287, 7) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@]5(C[C@]4(CCN3CC3CC3)c2c1)NC(=O)NC5=O |r| Show InChI InChI=1S/C22H27N3O3/c26-15-4-3-14-9-18-16-5-6-22(19(27)23-20(28)24-22)12-21(16,17(14)10-15)7-8-25(18)11-13-1-2-13/h3-4,10,13,16,18,26H,1-2,5-9,11-12H2,(H2,23,24,27,28)/t16-,18+,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.200	-55.4	n/a	n/a	n/a	n/a	n/a	7.4	25
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 ug membrane protein (recombinant...				US Patent US8987287 (2015) BindingDB Entry DOI: 10.7270/Q24F1PFT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4362 (US8530494, 215) Show SMILES COc1cccc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3N(C)CC[C@@]426)ccc5OC)c1 |r,THB:9:10:29.18:13.14| Show InChI InChI=1S/C30H37NO5/c1-31-13-12-29-25-20-8-9-23(33-3)26(25)36-27(29)30(34-4)11-10-28(29,24(31)15-20)16-21(30)18-35-17-19-6-5-7-22(14-19)32-2/h5-9,14,21,24,27H,10-13,15-18H2,1-4H3/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	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4387 (US8530494, 105) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC |r,TLB:26:25:15.16:22.21| Show InChI InChI=1S/C32H37Cl2NO4/c1-36-25-8-6-21-14-26-30-9-10-32(37-2,22(15-30)18-38-17-20-5-7-23(33)24(34)13-20)29-31(30,27(21)28(25)39-29)11-12-35(26)16-19-3-4-19/h5-8,13,19,22,26,29H,3-4,9-12,14-18H2,1-2H3/t22-,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	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM151177 (BDBM151178 | US8987287, 7) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@]5(C[C@]4(CCN3CC3CC3)c2c1)NC(=O)NC5=O |r| Show InChI InChI=1S/C22H27N3O3/c26-15-4-3-14-9-18-16-5-6-22(19(27)23-20(28)24-22)12-21(16,17(14)10-15)7-8-25(18)11-13-1-2-13/h3-4,10,13,16,18,26H,1-2,5-9,11-12H2,(H2,23,24,27,28)/t16-,18+,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.230	-55.0	n/a	n/a	n/a	n/a	n/a	7.4	25
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 ug membrane protein (recombinant...				US Patent US8987287 (2015) BindingDB Entry DOI: 10.7270/Q24F1PFT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM151184 (US8987287, 63) Show SMILES CN1C(=O)NC(=O)[C@@]11CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1 |r| Show InChI InChI=1S/C23H29N3O4/c1-25-20(29)24-19(28)22(25)6-7-23(30)18-10-15-4-5-16(27)11-17(15)21(23,13-22)8-9-26(18)12-14-2-3-14/h4-5,11,14,18,27,30H,2-3,6-10,12-13H2,1H3,(H,24,28,29)/t18-,21-,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-54.4	n/a	n/a	n/a	n/a	n/a	7.4	25
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 ug membrane protein (recombinant...				US Patent US8987287 (2015) BindingDB Entry DOI: 10.7270/Q24F1PFT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4390 (US8530494, 204) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(F)(F)F)OC |r,TLB:23:22:12.13:19.18| Show InChI InChI=1S/C30H34F3NO4/c1-34-13-12-28-24-19-6-9-22(35-2)25(24)38-26(28)29(36-3)11-10-27(28,23(34)14-19)15-21(29)17-37-16-18-4-7-20(8-5-18)30(31,32)33/h4-9,21,23,26H,10-17H2,1-3H3/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 Similars	US Patent	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4392 (US8530494, 106) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(F)(F)F)OC |r,TLB:26:25:15.16:22.21| Show InChI InChI=1S/C33H38F3NO4/c1-38-25-10-7-22-15-26-30-11-12-32(39-2,24(16-30)19-40-18-21-5-8-23(9-6-21)33(34,35)36)29-31(30,27(22)28(25)41-29)13-14-37(26)17-20-3-4-20/h5-10,20,24,26,29H,3-4,11-19H2,1-2H3/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4513 (US8530494, 8) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC=C)OC |r,TLB:26:25:15.16:22.21| Show InChI InChI=1S/C28H37NO4/c1-4-13-32-17-20-15-26-9-10-28(20,31-3)25-27(26)11-12-29(16-18-5-6-18)22(26)14-19-7-8-21(30-2)24(33-25)23(19)27/h4,7-8,18,20,22,25H,1,5-6,9-17H2,2-3H3/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 Similars	US Patent	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM151183 (US8987287, 49) Show SMILES CCN1C(=O)NC(=O)[C@@]11CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1 |r| Show InChI InChI=1S/C24H31N3O4/c1-2-27-21(30)25-20(29)23(27)7-8-24(31)19-11-16-5-6-17(28)12-18(16)22(24,14-23)9-10-26(19)13-15-3-4-15/h5-6,12,15,19,28,31H,2-4,7-11,13-14H2,1H3,(H,25,29,30)/t19-,22-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.470	-53.2	n/a	n/a	n/a	n/a	n/a	7.4	25
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 ug membrane protein (recombinant...				US Patent US8987287 (2015) BindingDB Entry DOI: 10.7270/Q24F1PFT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4523 (US8530494, 110) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COC\C=C\c1ccccc1)OC |r,TLB:26:25:15.16:22.21| Show InChI InChI=1S/C34H41NO4/c1-36-27-13-12-25-19-28-32-14-15-34(37-2,26(20-32)22-38-18-6-9-23-7-4-3-5-8-23)31-33(32,29(25)30(27)39-31)16-17-35(28)21-24-10-11-24/h3-9,12-13,24,26,28,31H,10-11,14-22H2,1-2H3/b9-6+/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 Similars	US Patent	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50052512 (1-Cyclohexyl-8-methyl-3-(2-oxo-propyl)-1,3,8-triaz...) Show SMILES CN1CCC2(CC1)N(CN(CC(C)=O)C2=O)C1CCCCC1 Show InChI InChI=1S/C17H29N3O2/c1-14(21)12-19-13-20(15-6-4-3-5-7-15)17(16(19)22)8-10-18(2)11-9-17/h15H,3-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scios Nova, Inc. Curated by ChEMBL					Assay Description Affinity to human Bradykinin receptor B2 in CHO cell membranes determined by displacement of [3H]-NPC 17731				J Med Chem 39: 3169-73 (1996) Article DOI: 10.1021/jm950676i BindingDB Entry DOI: 10.7270/Q2C24VH9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM4062 (US8530494, 213) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc2ccccc12)OC |r,TLB:23:22:12.13:19.18| Show InChI InChI=1S/C33H37NO4/c1-34-16-15-32-28-22-11-12-26(35-2)29(28)38-30(32)33(36-3)14-13-31(32,27(34)17-22)18-24(33)20-37-19-23-9-6-8-21-7-4-5-10-25(21)23/h4-12,24,27,30H,13-20H2,1-3H3/t24-,27-,30-,31-,32+,33-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM151173 (US8987287, 3) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CC[C@@]34O)NC(=O)NC5=O)c2c1 |r| Show InChI InChI=1S/C22H27N3O4/c26-15-4-3-14-9-17-22(29)6-5-21(18(27)23-19(28)24-21)12-20(22,16(14)10-15)7-8-25(17)11-13-1-2-13/h3-4,10,13,17,26,29H,1-2,5-9,11-12H2,(H2,23,24,27,28)/t17-,20-,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	7.4	25
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 ug membrane protein (recombinant...				US Patent US8987287 (2015) BindingDB Entry DOI: 10.7270/Q24F1PFT
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM3992 (US8530494, 201) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCCCC1)OC |r,TLB:23:22:12.13:19.18| Show InChI InChI=1S/C29H41NO4/c1-30-14-13-28-24-20-9-10-22(31-2)25(24)34-26(28)29(32-3)12-11-27(28,23(30)15-20)16-21(29)18-33-17-19-7-5-4-6-8-19/h9-10,19,21,23,26H,4-8,11-18H2,1-3H3/t21-,23-,26-,27-,28+,29-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4533 (US8530494, 108) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc2ccccc2c1)OC |r,TLB:26:25:15.16:22.21| Show InChI InChI=1S/C36H41NO4/c1-38-29-12-11-27-18-30-34-13-14-36(39-2,28(19-34)22-40-21-24-9-10-25-5-3-4-6-26(25)17-24)33-35(34,31(27)32(29)41-33)15-16-37(30)20-23-7-8-23/h3-6,9-12,17,23,28,30,33H,7-8,13-16,18-22H2,1-2H3/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 Similars	US Patent	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM151184 (US8987287, 63) Show SMILES CN1C(=O)NC(=O)[C@@]11CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1 |r| Show InChI InChI=1S/C23H29N3O4/c1-25-20(29)24-19(28)22(25)6-7-23(30)18-10-15-4-5-16(27)11-17(15)21(23,13-22)8-9-26(18)12-14-2-3-14/h4-5,11,14,18,27,30H,2-3,6-10,12-13H2,1H3,(H,24,28,29)/t18-,21-,22+,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.860	-56.1	n/a	n/a	n/a	n/a	n/a	7.4	50
Purdue Pharma L.P. US Patent					Assay Description mu-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Per...				US Patent US8987287 (2015) BindingDB Entry DOI: 10.7270/Q24F1PFT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM151175 (US8987287, 5) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)N5)CC[C@@]34O)c2c1 |r| Show InChI InChI=1S/C22H29N3O3/c26-16-4-3-15-9-18-22(28)6-5-20(13-23-19(27)24-20)12-21(22,17(15)10-16)7-8-25(18)11-14-1-2-14/h3-4,10,14,18,26,28H,1-2,5-9,11-13H2,(H2,23,24,27)/t18-,20+,21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.940	-51.5	n/a	n/a	n/a	n/a	n/a	7.4	25
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 ug membrane protein (recombinant...				US Patent US8987287 (2015) BindingDB Entry DOI: 10.7270/Q24F1PFT
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM4387 (US8530494, 105) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC |r,TLB:26:25:15.16:22.21| Show InChI InChI=1S/C32H37Cl2NO4/c1-36-25-8-6-21-14-26-30-9-10-32(37-2,22(15-30)18-38-17-20-5-7-23(33)24(34)13-20)29-31(30,27(21)28(25)39-29)11-12-35(26)16-19-3-4-19/h5-8,13,19,22,26,29H,3-4,9-12,14-18H2,1-2H3/t22-,26-,29-,30-,31+,32-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM4267 (US8530494, 11) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCc1ccccc1)OC |r| Show InChI InChI=1S/C29H35NO4/c1-30-14-13-28-24-20-9-10-22(31-2)25(24)34-26(28)29(32-3)12-11-27(28,23(30)15-20)16-21(29)18-33-17-19-7-5-4-6-8-19/h4-10,21,23,26H,11-18H2,1-3H3/t21?,23-,26?,27?,28+,29?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM4209 (US8530494, 107) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(C)c1)OC |r,TLB:26:25:15.16:22.21| Show InChI InChI=1S/C33H41NO4/c1-21-5-4-6-23(15-21)19-37-20-25-17-31-11-12-33(25,36-3)30-32(31)13-14-34(18-22-7-8-22)27(31)16-24-9-10-26(35-2)29(38-30)28(24)32/h4-6,9-10,15,22,25,27,30H,7-8,11-14,16-20H2,1-3H3/t25-,27-,30-,31-,32+,33-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM3916 (US8530494, 206) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC |r,TLB:23:22:12.13:19.18| Show InChI InChI=1S/C29H33Cl2NO4/c1-32-11-10-28-24-18-5-7-22(33-2)25(24)36-26(28)29(34-3)9-8-27(28,23(32)13-18)14-19(29)16-35-15-17-4-6-20(30)21(31)12-17/h4-7,12,19,23,26H,8-11,13-16H2,1-3H3/t19-,23-,26-,27-,28+,29-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM4538 (US8530494, 7) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35C[C@@H]1COCC#N)OC |r,THB:9:8:6.5.19:23| Show InChI InChI=1S/C27H34N2O4/c1-30-20-6-5-18-13-21-25-7-8-27(31-2,19(14-25)16-32-12-10-28)24-26(25,22(18)23(20)33-24)9-11-29(21)15-17-3-4-17/h5-6,17,19,21,24H,3-4,7-9,11-16H2,1-2H3/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 Similars	US Patent	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM16434 (US8846929, 290) Show SMILES [H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCC1 |r,TLB:11:8:25:2.4.3| Show InChI InChI=1S/C26H35N3O3/c30-25-24(26(31)32)27-22-14-7-8-15-23(22)29(25)21-16-19-12-9-13-20(17-21)28(19)18-10-5-3-1-2-4-6-11-18/h7-8,14-15,18-21H,1-6,9-13,16-17H2,(H,31,32)/t19-,20+,21+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM133966 (US8846929, 364) Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(C(O)=O)c1=O)CC2 |r| Show InChI InChI=1S/C27H35N3O3/c1-27(2)17-8-7-16(21(27)13-17)11-12-29-18-9-10-19(29)15-20(14-18)30-23-6-4-3-5-22(23)28-24(25(30)31)26(32)33/h3-6,16-21H,7-15H2,1-2H3,(H,32,33)/t16-,17-,18-,19+,20+,21-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM4205 (US8530494, 203) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)cc1)OC |r,TLB:23:22:12.13:19.18| Show InChI InChI=1S/C29H34ClNO4/c1-31-13-12-28-24-19-6-9-22(32-2)25(24)35-26(28)29(33-3)11-10-27(28,23(31)14-19)15-20(29)17-34-16-18-4-7-21(30)8-5-18/h4-9,20,23,26H,10-17H2,1-3H3/t20-,23-,26-,27-,28+,29-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM4049 (US8530494, 111) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1C)OC |r,TLB:26:25:15.16:22.21| Show InChI InChI=1S/C33H41NO4/c1-21-6-4-5-7-24(21)19-37-20-25-17-31-12-13-33(25,36-3)30-32(31)14-15-34(18-22-8-9-22)27(31)16-23-10-11-26(35-2)29(38-30)28(23)32/h4-7,10-11,22,25,27,30H,8-9,12-20H2,1-3H3/t25-,27-,30-,31-,32+,33-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM11828 (US8846929, 101) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CC[C@@H](N)C3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:27:2.3| Show InChI InChI=1S/C27H39N5O/c28-19-14-15-30(18-19)26-27(33)32(25-11-7-6-10-24(25)29-26)23-16-21-12-13-22(17-23)31(21)20-8-4-2-1-3-5-9-20/h6-7,10-11,19-23H,1-5,8-9,12-18,28H2/t19-,21-,22+,23+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM4211 (US8530494, 101) 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/C32H45NO4/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/h10-11,21-22,24,26,29H,3-9,12-20H2,1-2H3/t24-,26-,29-,30-,31+,32-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM4200 (US8530494, 210) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1C)OC |r,TLB:23:22:12.13:19.18| Show InChI InChI=1S/C30H37NO4/c1-19-7-5-6-8-21(19)17-34-18-22-16-28-11-12-30(22,33-4)27-29(28)13-14-31(2)24(28)15-20-9-10-23(32-3)26(35-27)25(20)29/h5-10,22,24,27H,11-18H2,1-4H3/t22-,24-,27-,28-,29+,30-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM16019 (US8846929, 288) Show SMILES [H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCCC1 |r,TLB:11:8:25:2.4.3| Show InChI InChI=1S/C27H37N3O3/c31-26-25(27(32)33)28-23-15-8-9-16-24(23)30(26)22-17-20-13-10-14-21(18-22)29(20)19-11-6-4-2-1-3-5-7-12-19/h8-9,15-16,19-22H,1-7,10-14,17-18H2,(H,32,33)/t20-,21+,22+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.80	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM4533 (US8530494, 108) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc2ccccc2c1)OC |r,TLB:26:25:15.16:22.21| Show InChI InChI=1S/C36H41NO4/c1-38-29-12-11-27-18-30-34-13-14-36(39-2,28(19-34)22-40-21-24-9-10-25-5-3-4-6-26(25)17-24)33-35(34,31(27)32(29)41-33)15-16-37(30)20-23-7-8-23/h3-6,9-12,17,23,28,30,33H,7-8,13-16,18-22H2,1-2H3/t28-,30-,33-,34-,35+,36-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM4654 (US8530494, 104) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)-c1ccccc1)OC |r,TLB:26:25:15.16:22.21| Show InChI InChI=1S/C38H43NO4/c1-40-31-15-14-29-20-32-36-16-17-38(41-2,35-37(36,33(29)34(31)43-35)18-19-39(32)22-25-8-9-25)30(21-36)24-42-23-26-10-12-28(13-11-26)27-6-4-3-5-7-27/h3-7,10-15,25,30,32,35H,8-9,16-24H2,1-2H3/t30-,32-,35-,36-,37+,38-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM17605 (US8846929, 298) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCC1 |r,TLB:10:7:24:2.3| Show InChI InChI=1S/C25H33N3O3/c29-24-23(25(30)31)26-21-11-7-8-12-22(21)28(24)20-15-18-13-14-19(16-20)27(18)17-9-5-3-1-2-4-6-10-17/h7-8,11-12,17-20H,1-6,9-10,13-16H2,(H,30,31)/t18-,19+,20+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Mu-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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM394120 ((2R,6S,11R)-11-(((1-(2-hydroxy- 2-methylpropyl)pip...) Show SMILES CN(CC1CCN(CC(C)(C)O)CC1)[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C |r,TLB:29:28:14:23.17.16| Show InChI InChI=1S/C25H41N3O2/c1-24(2,30)17-28-11-8-18(9-12-28)16-27(5)23-22-14-19-6-7-20(29)15-21(19)25(23,3)10-13-26(22)4/h6-7,15,18,22-23,29-30H,8-14,16-17H2,1-5H3/t22-,23+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description μ-Opioid: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.)...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q2445PT5
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1266 total )  |  Next  |  Last  >>

Jump to: