Compile Data Set for Download or QSAR
Found 42 Enz. Inhib. hit(s) with all data for entry = 50006809
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503606(CHEMBL4462756)
Show SMILES OC(=O)c1ccc2c3C[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H](c3[nH]c2c1)[C@]4(CCN5CC1CC1)c67
Show InChI InChI=1S/C27H26N2O5/c30-19-6-4-14-10-20-27(33)11-17-16-5-3-15(25(31)32)9-18(16)28-22(17)24-26(27,21(14)23(19)34-24)7-8-29(20)12-13-1-2-13/h3-6,9,13,20,24,28,30,33H,1-2,7-8,10-12H2,(H,31,32)/t20-,24+,26+,27-/m1/s1
Affinity DataKi:  0.620nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503604(Naldemedine | S-297995)
Show SMILES CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39)/t22-,26+,31+,32-/m1/s1
Affinity DataKi:  0.910nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503597(CHEMBL4534307)
Show SMILES CC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O
Show InChI InChI=1S/C22H25NO5/c1-11(24)14-9-22(27)16-8-13-4-5-15(25)19-17(13)21(22,20(28-19)18(14)26)6-7-23(16)10-12-2-3-12/h4-5,12,16,20,25-27H,2-3,6-10H2,1H3/t16-,20+,21+,22-/m1/s1
Affinity DataKi:  0.950nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503601(CHEMBL4529950)
Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H28N2O5/c30-19-9-8-16-12-20-27(33)13-18(25(32)28-17-4-2-1-3-5-17)22(31)24-26(27,21(16)23(19)34-24)10-11-29(20)14-15-6-7-15/h1-5,8-9,15,20,24,30-31,33H,6-7,10-14H2,(H,28,32)/t20-,24+,26+,27-/m1/s1
Affinity DataKi:  1nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503611(CHEMBL4468216)
Show SMILES OC(=O)c1ccc2c3C[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H](c3[nH]c2c1Cl)[C@]4(CCN5CC1CC1)c67
Show InChI InChI=1S/C27H25ClN2O5/c28-20-15(25(32)33)5-4-14-16-10-27(34)18-9-13-3-6-17(31)23-19(13)26(27,7-8-30(18)11-12-1-2-12)24(35-23)22(16)29-21(14)20/h3-6,12,18,24,29,31,34H,1-2,7-11H2,(H,32,33)/t18-,24+,26+,27-/m1/s1
Affinity DataKi:  1nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503604(Naldemedine | S-297995)
Show SMILES CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39)/t22-,26+,31+,32-/m1/s1
Affinity DataKi:  1.10nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503596(CHEMBL4561876)
Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)NCc1ccccc1
Show InChI InChI=1S/C28H30N2O5/c31-20-9-8-18-12-21-28(34)13-19(26(33)29-14-16-4-2-1-3-5-16)23(32)25-27(28,22(18)24(20)35-25)10-11-30(21)15-17-6-7-17/h1-5,8-9,17,21,25,31-32,34H,6-7,10-15H2,(H,29,33)/t21-,25+,27+,28-/m1/s1
Affinity DataKi:  1.10nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503599(CHEMBL4439770)
Show SMILES Cc1n[nH]c2[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc12)ccc4O
Show InChI InChI=1S/C22H25N3O3/c1-11-14-9-22(27)16-8-13-4-5-15(26)19-17(13)21(22,20(28-19)18(14)24-23-11)6-7-25(16)10-12-2-3-12/h4-5,12,16,20,26-27H,2-3,6-10H2,1H3,(H,23,24)/t16-,20+,21+,22-/m1/s1
Affinity DataKi:  1.20nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503598(CHEMBL4551066)
Show SMILES CCC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O
Show InChI InChI=1S/C23H27NO5/c1-2-15(25)14-10-23(28)17-9-13-5-6-16(26)20-18(13)22(23,21(29-20)19(14)27)7-8-24(17)11-12-3-4-12/h5-6,12,17,21,26-28H,2-4,7-11H2,1H3/t17-,21+,22+,23-/m1/s1
Affinity DataKi:  1.40nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM102406(US8536192, I-135)
Show SMILES COC(=O)C1(CC1)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O
Show InChI InChI=1S/C26H30N2O7/c1-34-23(32)24(6-7-24)27-22(31)15-11-26(33)17-10-14-4-5-16(29)20-18(14)25(26,21(35-20)19(15)30)8-9-28(17)12-13-2-3-13/h4-5,13,17,21,29-30,33H,2-3,6-12H2,1H3,(H,27,31)/t17-,21+,25+,26-/m1/s1
Affinity DataKi:  1.60nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503600(CHEMBL4542825)
Show SMILES CC(C)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O
Show InChI InChI=1S/C24H30N2O5/c1-12(2)25-22(29)15-10-24(30)17-9-14-5-6-16(27)20-18(14)23(24,21(31-20)19(15)28)7-8-26(17)11-13-3-4-13/h5-6,12-13,17,21,27-28,30H,3-4,7-11H2,1-2H3,(H,25,29)/t17-,21+,23+,24-/m1/s1
Affinity DataKi:  2nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503610(CHEMBL4516674)
Show SMILES Cc1nc(N)nc2[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc12)ccc4O
Show InChI InChI=1S/C23H26N4O3/c1-11-14-9-23(29)16-8-13-4-5-15(28)19-17(13)22(23,6-7-27(16)10-12-2-3-12)20(30-19)18(14)26-21(24)25-11/h4-5,12,16,20,28-29H,2-3,6-10H2,1H3,(H2,24,25,26)/t16-,20+,22+,23-/m1/s1
Affinity DataKi:  2.10nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503594(CHEMBL4574150)
Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)Nc1ccc2cc[nH]c2c1
Show InChI InChI=1S/C29H29N3O5/c33-21-6-4-17-11-22-29(36)13-19(27(35)31-18-5-3-16-7-9-30-20(16)12-18)24(34)26-28(29,23(17)25(21)37-26)8-10-32(22)14-15-1-2-15/h3-7,9,12,15,22,26,30,33-34,36H,1-2,8,10-11,13-14H2,(H,31,35)/t22-,26+,28+,29-/m1/s1
Affinity DataKi:  2.40nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503600(CHEMBL4542825)
Show SMILES CC(C)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O
Show InChI InChI=1S/C24H30N2O5/c1-12(2)25-22(29)15-10-24(30)17-9-14-5-6-16(27)20-18(14)23(24,21(31-20)19(15)28)7-8-26(17)11-13-3-4-13/h5-6,12-13,17,21,27-28,30H,3-4,7-11H2,1-2H3,(H,25,29)/t17-,21+,23+,24-/m1/s1
Affinity DataKi:  3.40nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503612(CHEMBL4459343)
Show SMILES COC(=O)C(C)(C)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O
Show InChI InChI=1S/C26H32N2O7/c1-24(2,23(32)34-3)27-22(31)15-11-26(33)17-10-14-6-7-16(29)20-18(14)25(26,21(35-20)19(15)30)8-9-28(17)12-13-4-5-13/h6-7,13,17,21,29-30,33H,4-5,8-12H2,1-3H3,(H,27,31)/t17-,21+,25+,26-/m1/s1
Affinity DataKi:  4nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503607(CHEMBL4452187)
Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)N1CCCC1
Show InChI InChI=1S/C25H30N2O5/c28-17-6-5-15-11-18-25(31)12-16(23(30)26-8-1-2-9-26)20(29)22-24(25,19(15)21(17)32-22)7-10-27(18)13-14-3-4-14/h5-6,14,18,22,28-29,31H,1-4,7-13H2/t18-,22+,24+,25-/m1/s1
Affinity DataKi:  4nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503605(CHEMBL4457877)
Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C28H27N3O5/c29-13-15-3-6-18(7-4-15)30-26(34)19-12-28(35)21-11-17-5-8-20(32)24-22(17)27(28,25(36-24)23(19)33)9-10-31(21)14-16-1-2-16/h3-8,16,21,25,32-33,35H,1-2,9-12,14H2,(H,30,34)/t21-,25+,27+,28-/m1/s1
Affinity DataKi:  5.10nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50278337(CHEMBL470617 | Naltrexone methiodide)
Show SMILES C[N+]1(CC2CC2)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O
Show InChI InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22?/m1/s1
Affinity DataKi:  5.5nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503602(CHEMBL4472077)
Show SMILES CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C26H33N3O8S/c1-24(2,23(33)28-38(3,35)36)27-22(32)15-11-26(34)17-10-14-6-7-16(30)20-18(14)25(26,21(37-20)19(15)31)8-9-29(17)12-13-4-5-13/h6-7,13,17,21,30-31,34H,4-5,8-12H2,1-3H3,(H,27,32)(H,28,33)/t17-,21+,25+,26-/m1/s1
Affinity DataKi:  5.5nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503608(CHEMBL4445736)
Show SMILES Cc1noc(n1)C(C)(C)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O
Show InChI InChI=1S/C27H32N4O6/c1-13-28-24(37-30-13)25(2,3)29-23(34)16-11-27(35)18-10-15-6-7-17(32)21-19(15)26(27,22(36-21)20(16)33)8-9-31(18)12-14-4-5-14/h6-7,14,18,22,32-33,35H,4-5,8-12H2,1-3H3,(H,29,34)/t18-,22+,26+,27-/m1/s1
Affinity DataKi:  5.80nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503609(CHEMBL4543425)
Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)Nc1ccccn1
Show InChI InChI=1S/C26H27N3O5/c30-17-7-6-15-11-18-26(33)12-16(24(32)28-19-3-1-2-9-27-19)21(31)23-25(26,20(15)22(17)34-23)8-10-29(18)13-14-4-5-14/h1-3,6-7,9,14,18,23,30-31,33H,4-5,8,10-13H2,(H,27,28,32)/t18-,23+,25+,26-/m1/s1
Affinity DataKi:  6.80nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503601(CHEMBL4529950)
Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H28N2O5/c30-19-9-8-16-12-20-27(33)13-18(25(32)28-17-4-2-1-3-5-17)22(31)24-26(27,21(16)23(19)34-24)10-11-29(20)14-15-6-7-15/h1-5,8-9,15,20,24,30-31,33H,6-7,10-14H2,(H,28,32)/t20-,24+,26+,27-/m1/s1
Affinity DataKi:  6.80nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503608(CHEMBL4445736)
Show SMILES Cc1noc(n1)C(C)(C)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O
Show InChI InChI=1S/C27H32N4O6/c1-13-28-24(37-30-13)25(2,3)29-23(34)16-11-27(35)18-10-15-6-7-17(32)21-19(15)26(27,22(36-21)20(16)33)8-9-31(18)12-14-4-5-14/h6-7,14,18,22,32-33,35H,4-5,8-12H2,1-3H3,(H,29,34)/t18-,22+,26+,27-/m1/s1
Affinity DataKi:  7.30nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503607(CHEMBL4452187)
Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)N1CCCC1
Show InChI InChI=1S/C25H30N2O5/c28-17-6-5-15-11-18-25(31)12-16(23(30)26-8-1-2-9-26)20(29)22-24(25,19(15)21(17)32-22)7-10-27(18)13-14-3-4-14/h5-6,14,18,22,28-29,31H,1-4,7-13H2/t18-,22+,24+,25-/m1/s1
Affinity DataKi:  7.40nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503610(CHEMBL4516674)
Show SMILES Cc1nc(N)nc2[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc12)ccc4O
Show InChI InChI=1S/C23H26N4O3/c1-11-14-9-23(29)16-8-13-4-5-15(28)19-17(13)22(23,6-7-27(16)10-12-2-3-12)20(30-19)18(14)26-21(24)25-11/h4-5,12,16,20,28-29H,2-3,6-10H2,1H3,(H2,24,25,26)/t16-,20+,22+,23-/m1/s1
Affinity DataKi:  8.60nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503609(CHEMBL4543425)
Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)Nc1ccccn1
Show InChI InChI=1S/C26H27N3O5/c30-17-7-6-15-11-18-26(33)12-16(24(32)28-19-3-1-2-9-27-19)21(31)23-25(26,20(15)22(17)34-23)8-10-29(18)13-14-4-5-14/h1-3,6-7,9,14,18,23,30-31,33H,4-5,8,10-13H2,(H,27,28,32)/t18-,23+,25+,26-/m1/s1
Affinity DataKi:  9.80nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM102406(US8536192, I-135)
Show SMILES COC(=O)C1(CC1)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O
Show InChI InChI=1S/C26H30N2O7/c1-34-23(32)24(6-7-24)27-22(31)15-11-26(33)17-10-14-4-5-16(29)20-18(14)25(26,21(35-20)19(15)30)8-9-28(17)12-13-2-3-13/h4-5,13,17,21,29-30,33H,2-3,6-12H2,1H3,(H,27,31)/t17-,21+,25+,26-/m1/s1
Affinity DataKi:  9.80nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503598(CHEMBL4551066)
Show SMILES CCC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O
Show InChI InChI=1S/C23H27NO5/c1-2-15(25)14-10-23(28)17-9-13-5-6-16(26)20-18(13)22(23,21(29-20)19(14)27)7-8-24(17)11-12-3-4-12/h5-6,12,17,21,26-28H,2-4,7-11H2,1H3/t17-,21+,22+,23-/m1/s1
Affinity DataKi:  9.90nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503605(CHEMBL4457877)
Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C28H27N3O5/c29-13-15-3-6-18(7-4-15)30-26(34)19-12-28(35)21-11-17-5-8-20(32)24-22(17)27(28,25(36-24)23(19)33)9-10-31(21)14-16-1-2-16/h3-8,16,21,25,32-33,35H,1-2,9-12,14H2,(H,30,34)/t21-,25+,27+,28-/m1/s1
Affinity DataKi:  11nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503595(CHEMBL4435773)
Show SMILES CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O)C(O)=O
Show InChI InChI=1S/C25H30N2O7/c1-23(2,22(31)32)26-21(30)14-10-25(33)16-9-13-5-6-15(28)19-17(13)24(25,20(34-19)18(14)29)7-8-27(16)11-12-3-4-12/h5-6,12,16,20,28-29,33H,3-4,7-11H2,1-2H3,(H,26,30)(H,31,32)/t16-,20+,24+,25-/m1/s1
Affinity DataKi:  12nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503596(CHEMBL4561876)
Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)NCc1ccccc1
Show InChI InChI=1S/C28H30N2O5/c31-20-9-8-18-12-21-28(34)13-19(26(33)29-14-16-4-2-1-3-5-16)23(32)25-27(28,22(18)24(20)35-25)10-11-30(21)15-17-6-7-17/h1-5,8-9,17,21,25,31-32,34H,6-7,10-15H2,(H,29,33)/t21-,25+,27+,28-/m1/s1
Affinity DataKi:  16nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503612(CHEMBL4459343)
Show SMILES COC(=O)C(C)(C)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O
Show InChI InChI=1S/C26H32N2O7/c1-24(2,23(32)34-3)27-22(31)15-11-26(33)17-10-14-6-7-16(29)20-18(14)25(26,21(35-20)19(15)30)8-9-28(17)12-13-4-5-13/h6-7,13,17,21,29-30,33H,4-5,8-12H2,1-3H3,(H,27,31)/t17-,21+,25+,26-/m1/s1
Affinity DataKi:  17nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503603(CHEMBL4521187)
Show SMILES C[C@H](CO)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O
Show InChI InChI=1S/C24H30N2O6/c1-12(11-27)25-22(30)15-9-24(31)17-8-14-4-5-16(28)20-18(14)23(24,21(32-20)19(15)29)6-7-26(17)10-13-2-3-13/h4-5,12-13,17,21,27-29,31H,2-3,6-11H2,1H3,(H,25,30)/t12-,17-,21+,23+,24-/m1/s1
Affinity DataKi:  18nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503606(CHEMBL4462756)
Show SMILES OC(=O)c1ccc2c3C[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H](c3[nH]c2c1)[C@]4(CCN5CC1CC1)c67
Show InChI InChI=1S/C27H26N2O5/c30-19-6-4-14-10-20-27(33)11-17-16-5-3-15(25(31)32)9-18(16)28-22(17)24-26(27,21(14)23(19)34-24)7-8-29(20)12-13-1-2-13/h3-6,9,13,20,24,28,30,33H,1-2,7-8,10-12H2,(H,31,32)/t20-,24+,26+,27-/m1/s1
Affinity DataKi:  18nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503594(CHEMBL4574150)
Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)Nc1ccc2cc[nH]c2c1
Show InChI InChI=1S/C29H29N3O5/c33-21-6-4-17-11-22-29(36)13-19(27(35)31-18-5-3-16-7-9-30-20(16)12-18)24(34)26-28(29,23(17)25(21)37-26)8-10-32(22)14-15-1-2-15/h3-7,9,12,15,22,26,30,33-34,36H,1-2,8,10-11,13-14H2,(H,31,35)/t22-,26+,28+,29-/m1/s1
Affinity DataKi:  19nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503611(CHEMBL4468216)
Show SMILES OC(=O)c1ccc2c3C[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H](c3[nH]c2c1Cl)[C@]4(CCN5CC1CC1)c67
Show InChI InChI=1S/C27H25ClN2O5/c28-20-15(25(32)33)5-4-14-16-10-27(34)18-9-13-3-6-17(31)23-19(13)26(27,7-8-30(18)11-12-1-2-12)24(35-23)22(16)29-21(14)20/h3-6,12,18,24,29,31,34H,1-2,7-11H2,(H,32,33)/t18-,24+,26+,27-/m1/s1
Affinity DataKi:  19nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503603(CHEMBL4521187)
Show SMILES C[C@H](CO)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O
Show InChI InChI=1S/C24H30N2O6/c1-12(11-27)25-22(30)15-9-24(31)17-8-14-4-5-16(28)20-18(14)23(24,21(32-20)19(15)29)6-7-26(17)10-13-2-3-13/h4-5,12-13,17,21,27-29,31H,2-3,6-11H2,1H3,(H,25,30)/t12-,17-,21+,23+,24-/m1/s1
Affinity DataKi:  19nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503599(CHEMBL4439770)
Show SMILES Cc1n[nH]c2[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc12)ccc4O
Show InChI InChI=1S/C22H25N3O3/c1-11-14-9-22(27)16-8-13-4-5-15(26)19-17(13)21(22,20(28-19)18(14)24-23-11)6-7-25(16)10-12-2-3-12/h4-5,12,16,20,26-27H,2-3,6-10H2,1H3,(H,23,24)/t16-,20+,21+,22-/m1/s1
Affinity DataKi:  24nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503597(CHEMBL4534307)
Show SMILES CC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O
Show InChI InChI=1S/C22H25NO5/c1-11(24)14-9-22(27)16-8-13-4-5-15(25)19-17(13)21(22,20(28-19)18(14)26)6-7-23(16)10-12-2-3-12/h4-5,12,16,20,25-27H,2-3,6-10H2,1H3/t16-,20+,21+,22-/m1/s1
Affinity DataKi:  31nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503595(CHEMBL4435773)
Show SMILES CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O)C(O)=O
Show InChI InChI=1S/C25H30N2O7/c1-23(2,22(31)32)26-21(30)14-10-25(33)16-9-13-5-6-15(28)19-17(13)24(25,20(34-19)18(14)29)7-8-27(16)11-12-3-4-12/h5-6,12,16,20,28-29,33H,3-4,7-11H2,1-2H3,(H,26,30)(H,31,32)/t16-,20+,24+,25-/m1/s1
Affinity DataKi:  46nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50503602(CHEMBL4472077)
Show SMILES CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C26H33N3O8S/c1-24(2,23(33)28-38(3,35)36)27-22(32)15-11-26(34)17-10-14-6-7-16(30)20-18(14)25(26,21(37-20)19(15)31)8-9-29(17)12-13-4-5-13/h6-7,13,17,21,30-31,34H,4-5,8-12H2,1-3H3,(H,27,32)(H,28,33)/t17-,21+,25+,26-/m1/s1
Affinity DataKi:  94nMAssay Description:Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Shionogi Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50278337(CHEMBL470617 | Naltrexone methiodide)
Show SMILES C[N+]1(CC2CC2)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O
Show InChI InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22?/m1/s1
Affinity DataKi:  3.46E+3nMAssay Description:Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair