Compile Data Set for Download or QSAR
Found 1556 of ec50 for UniProtKB: P41143
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50001468((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
Affinity DataEC50: <0.0100nMAssay Description:Activity at delta opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assayMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50001468((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
Affinity DataEC50: <0.0100nMAssay Description:Antagonist activity at delta opioid receptor expressed in CHO cells assessed as release of intracellular calcium ions by aequorin luminescence-based ...More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50393257(CHEMBL2151735)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)12-22(28)26(36)31(4)17(3)25(35)30-23-11-18-7-5-6-8-19(18)13-32(27(23)37)14-24(29)34/h5-10,17,22-23,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,35)/t17-,22+,23+/m1/s1
Affinity DataEC50:  0.0160nMAssay Description:Agonist activity at human DOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50294426(CHEMBL559518 | SN-11)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C27H28N2O/c30-21-8-7-18-13-26-23-12-20-11-19-3-1-2-4-24(19)28-25(20)15-27(23,22(18)14-21)9-10-29(26)16-17-5-6-17/h1-4,7-8,11,14,17,23,26,30H,5-6,9-10,12-13,15-16H2/t23-,26+,27+/m0/s1
Affinity DataEC50:  0.0180nMAssay Description:Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50294426(CHEMBL559518 | SN-11)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C27H28N2O/c30-21-8-7-18-13-26-23-12-20-11-19-3-1-2-4-24(19)28-25(20)15-27(23,22(18)14-21)9-10-29(26)16-17-5-6-17/h1-4,7-8,11,14,17,23,26,30H,5-6,9-10,12-13,15-16H2/t23-,26+,27+/m0/s1
Affinity DataEC50:  0.0180nMAssay Description:Agonist activity at human recombinant delta opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50304490(CHEMBL611926 | H-Tyr-c[D-Cys-Gly-Phe-Nle-Pro-Cys]-...)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C57H64F6N10O9S2/c1-2-3-13-42-55(82)73-20-9-15-47(73)54(81)72-46(53(80)70-44(25-35-28-65-41-14-8-7-12-39(35)41)50(77)66-27-34-21-36(56(58,59)60)26-37(22-34)57(61,62)63)31-84-83-30-45(71-49(76)40(64)23-33-16-18-38(74)19-17-33)51(78)67-29-48(75)68-43(52(79)69-42)24-32-10-5-4-6-11-32/h4-8,10-12,14,16-19,21-22,26,28,40,42-47,65,74H,2-3,9,13,15,20,23-25,27,29-31,64H2,1H3,(H,66,77)(H,67,78)(H,68,75)(H,69,79)(H,70,80)(H,71,76)(H,72,81)/t40-,42-,43-,44-,45+,46-,47-/m0/s1
Affinity DataEC50:  0.0200nMAssay Description:Agonist activity at human delta opioid receptor expressed in HN9.10 cells assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM21025((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
Affinity DataEC50:  0.0200nMAssay Description:Agonist activity at human DOR expressed in CHOK1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by lumi...More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50294428(CHEMBL552308 | SN-28)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc31
Show InChI InChI=1S/C24H24N2O/c1-26-9-8-24-14-22-17(10-16-4-2-3-5-21(16)25-22)11-20(24)23(26)12-15-6-7-18(27)13-19(15)24/h2-7,10,13,20,23,27H,8-9,11-12,14H2,1H3/t20-,23+,24+/m0/s1
Affinity DataEC50:  0.0470nMAssay Description:Agonist activity at human recombinant delta opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50294428(CHEMBL552308 | SN-28)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc31
Show InChI InChI=1S/C24H24N2O/c1-26-9-8-24-14-22-17(10-16-4-2-3-5-21(16)25-22)11-20(24)23(26)12-15-6-7-18(27)13-19(15)24/h2-7,10,13,20,23,27H,8-9,11-12,14H2,1H3/t20-,23+,24+/m0/s1
Affinity DataEC50:  0.0470nMAssay Description:Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50294427(CHEMBL564538 | SN-23)
Show SMILES CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc31
Show InChI InChI=1S/C27H30N2O/c1-17(2)16-29-10-9-27-15-25-20(11-19-5-3-4-6-24(19)28-25)12-23(27)26(29)13-18-7-8-21(30)14-22(18)27/h3-8,11,14,17,23,26,30H,9-10,12-13,15-16H2,1-2H3/t23-,26+,27+/m0/s1
Affinity DataEC50:  0.0600nMAssay Description:Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50294427(CHEMBL564538 | SN-23)
Show SMILES CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc31
Show InChI InChI=1S/C27H30N2O/c1-17(2)16-29-10-9-27-15-25-20(11-19-5-3-4-6-24(19)28-25)12-23(27)26(29)13-18-7-8-21(30)14-22(18)27/h3-8,11,14,17,23,26,30H,9-10,12-13,15-16H2,1-2H3/t23-,26+,27+/m0/s1
Affinity DataEC50:  0.0600nMAssay Description:Agonist activity at human recombinant delta opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50334994((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1
Show InChI InChI=1S/C42H55ClN6O6/c1-5-7-13-36(47-40(53)35(44)25-34-27(3)22-33(50)23-28(34)4)41(54)45-26-38(51)46-37(24-29-14-16-30(43)17-15-29)42(55)48-20-18-32(19-21-48)49(39(52)6-2)31-11-9-8-10-12-31/h8-12,14-17,22-23,32,35-37,50H,5-7,13,18-21,24-26,44H2,1-4H3,(H,45,54)(H,46,51)(H,47,53)/t35-,36+,37-/m0/s1
Affinity DataEC50:  0.0700nMAssay Description:Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50334995((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1
Show InChI InChI=1S/C42H55FN6O6/c1-5-7-13-36(47-40(53)35(44)25-34-27(3)22-33(50)23-28(34)4)41(54)45-26-38(51)46-37(24-29-14-16-30(43)17-15-29)42(55)48-20-18-32(19-21-48)49(39(52)6-2)31-11-9-8-10-12-31/h8-12,14-17,22-23,32,35-37,50H,5-7,13,18-21,24-26,44H2,1-4H3,(H,45,54)(H,46,51)(H,47,53)/t35-,36+,37-/m0/s1
Affinity DataEC50:  0.0700nMAssay Description:Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50001465((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
Affinity DataEC50:  0.0800nMAssay Description:Agonist activity at delta opioid receptor (unknown origin) expressed in CHO cellsMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50001465((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
Affinity DataEC50:  0.0800nMAssay Description:Agonist activity at human delta opioid receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for...More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50142622(CHEMBL3758292)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26+/m0/s1
Affinity DataEC50:  0.0813nMAssay Description:Agonist activity at human delta-opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50334989((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
Show InChI InChI=1S/C46H53FN6O6/c1-4-43(56)53(35-12-6-5-7-13-35)36-18-20-51(21-19-36)46(59)40(24-31-14-16-34(47)17-15-31)50-42(55)27-49-44(57)41-25-32-10-8-9-11-33(32)28-52(41)45(58)39(48)26-38-29(2)22-37(54)23-30(38)3/h5-17,22-23,36,39-41,54H,4,18-21,24-28,48H2,1-3H3,(H,49,57)(H,50,55)/t39-,40-,41+/m0/s1
Affinity DataEC50:  0.0900nMAssay Description:Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50341314((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C62H76F6N10O9/c1-7-8-18-48(75-58(85)50(27-38-15-10-9-11-16-38)74-53(80)33-72-54(81)37(6)73-55(82)46(69)30-45-35(4)23-43(79)24-36(45)5)60(87)78-21-14-20-52(78)59(86)77-49(22-34(2)3)57(84)76-51(28-40-32-70-47-19-13-12-17-44(40)47)56(83)71-31-39-25-41(61(63,64)65)29-42(26-39)62(66,67)68/h9-13,15-17,19,23-26,29,32,34,37,46,48-52,70,79H,7-8,14,18,20-22,27-28,30-31,33,69H2,1-6H3,(H,71,83)(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,86)/t37-,46+,48+,49+,50+,51+,52+/m1/s1
Affinity DataEC50:  0.100nMAssay Description:Agonist activity at human opioid delta receptor expressed in mouse HN9.10 cells assessed as [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50027230(CHEMBL2113666)
Show SMILES CN1CC[C@]23[C@H]4Oc5cccc(C[C@@H]1[C@@]2(CCC4=O)NC(=O)\C=C\c1ccccc1Cl)c35
Show InChI InChI=1S/C26H25ClN2O3/c1-29-14-13-25-23-17-6-4-8-20(23)32-24(25)19(30)11-12-26(25,21(29)15-17)28-22(31)10-9-16-5-2-3-7-18(16)27/h2-10,21,24H,11-15H2,1H3,(H,28,31)/b10-9+/t21-,24+,25+,26-/m1/s1
Affinity DataEC50:  0.100nMAssay Description:Stimulation of [35S]GTP-gamma-S binding to human recombinant DORMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50334991((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1
Show InChI InChI=1S/C42H56N6O6/c1-5-7-18-36(46-40(52)35(43)26-34-28(3)23-33(49)24-29(34)4)41(53)44-27-38(50)45-37(25-30-14-10-8-11-15-30)42(54)47-21-19-32(20-22-47)48(39(51)6-2)31-16-12-9-13-17-31/h8-17,23-24,32,35-37,49H,5-7,18-22,25-27,43H2,1-4H3,(H,44,53)(H,45,50)(H,46,52)/t35-,36+,37-/m0/s1
Affinity DataEC50:  0.100nMAssay Description:Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM21864((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1CC35O
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
Affinity DataEC50:  0.110nMAssay Description:Agonistic activity towards Opioid receptor delta 1More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM21864((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1CC35O
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
Affinity DataEC50:  0.110nMAssay Description:Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM21008((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
Affinity DataEC50:  0.120nMAssay Description:Agonist activity at human DOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assayMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50334988((S)-2-amino-N-((R)-1-(2-((S)-3-(4-fluorophenyl)-1-...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
Show InChI InChI=1S/C39H49FN6O6/c1-5-36(49)46(29-9-7-6-8-10-29)30-15-17-45(18-16-30)39(52)34(21-27-11-13-28(40)14-12-27)44-35(48)23-42-37(50)26(4)43-38(51)33(41)22-32-24(2)19-31(47)20-25(32)3/h6-14,19-20,26,30,33-34,47H,5,15-18,21-23,41H2,1-4H3,(H,42,50)(H,43,51)(H,44,48)/t26-,33+,34+/m1/s1
Affinity DataEC50:  0.120nMAssay Description:Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50039026(4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1
Affinity DataEC50:  0.120nMAssay Description:Agonist potency was measured using GTP gamma-[35S] binding assayMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50304175(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Cc1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C28H32N2O4/c1-16-2-6-18(7-3-16)26(32)29-20-10-11-28(33)22-14-19-8-9-21(31)24-23(19)27(28,25(20)34-24)12-13-30(22)15-17-4-5-17/h2-3,6-9,17,20,22,25,31,33H,4-5,10-15H2,1H3,(H,29,32)/t20-,22-,25+,27+,28-/m1/s1
Affinity DataEC50:  0.140nMAssay Description:Activity at delta opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50001683(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
Affinity DataEC50:  0.140nMAssay Description:Agonist activity at human DOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50334996((S)-2-amino-N-((R)-1-(2-((S)-3-(4-chlorophenyl)-1-...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
Show InChI InChI=1S/C39H49ClN6O6/c1-5-36(49)46(29-9-7-6-8-10-29)30-15-17-45(18-16-30)39(52)34(21-27-11-13-28(40)14-12-27)44-35(48)23-42-37(50)26(4)43-38(51)33(41)22-32-24(2)19-31(47)20-25(32)3/h6-14,19-20,26,30,33-34,47H,5,15-18,21-23,41H2,1-4H3,(H,42,50)(H,43,51)(H,44,48)/t26-,33+,34+/m1/s1
Affinity DataEC50:  0.160nMAssay Description:Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50402776(CHEMBL2208349)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1O
Show InChI InChI=1S/C33H38N2O2/c1-22-30-20-26-13-14-27(19-29(26)33(22,2)16-18-35(30)21-24-7-8-24)32(37)34-17-15-23-9-11-25(12-10-23)28-5-3-4-6-31(28)36/h3-6,9-14,19,22,24,30,36H,7-8,15-18,20-21H2,1-2H3,(H,34,37)
Affinity DataEC50:  0.160nMAssay Description:Agonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50212296((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51
Show InChI InChI=1S/C26H28N2O/c29-18-8-7-17-11-25-22-13-20-19-3-1-2-4-23(19)27-24(20)14-26(22,21(17)12-18)9-10-28(25)15-16-5-6-16/h1-4,7-8,12,16,22,25,27,29H,5-6,9-11,13-15H2/t22-,25+,26+/m0/s1
Affinity DataEC50:  0.160nMAssay Description:Agonist activity at human delta opioid receptor expressed in CHO membrane assessed as stimulation of [35S]GTP-gamma-S bindingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50354650(CHEMBL1834247)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C26H33N5O5/c1-14-8-19(32)9-15(2)20(14)11-21(27)25(35)29-16(3)24(34)30-22-10-17-6-4-5-7-18(17)12-31(26(22)36)13-23(28)33/h4-9,16,21-22,32H,10-13,27H2,1-3H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,21+,22+/m1/s1
Affinity DataEC50:  0.170nMAssay Description:Agonist activity at human DOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50212293((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1
Show InChI InChI=1S/C21H25N3OS/c22-20-23-17-10-21-5-6-24(11-12-1-2-12)18(16(21)9-19(17)26-20)7-13-3-4-14(25)8-15(13)21/h3-4,8,12,16,18,25H,1-2,5-7,9-11H2,(H2,22,23)/t16-,18+,21+/m0/s1
Affinity DataEC50:  0.170nMAssay Description:Agonist activity at human delta opioid receptor expressed in CHO membrane assessed as stimulation of [35S]GTP-gamma-S bindingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50360142(CHEMBL1929365)
Show SMILES Oc1cccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CC3)c12
Show InChI InChI=1S/C27H28N2O/c30-25-7-3-5-19-14-24-21-13-20-12-18-4-1-2-6-22(18)28-23(20)15-27(21,26(19)25)10-11-29(24)16-17-8-9-17/h1-7,12,17,21,24,30H,8-11,13-16H2/t21-,24+,27-/m0/s1
Affinity DataEC50:  0.190nMAssay Description:Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50334990((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
Show InChI InChI=1S/C46H53ClN6O6/c1-4-43(56)53(35-12-6-5-7-13-35)36-18-20-51(21-19-36)46(59)40(24-31-14-16-34(47)17-15-31)50-42(55)27-49-44(57)41-25-32-10-8-9-11-33(32)28-52(41)45(58)39(48)26-38-29(2)22-37(54)23-30(38)3/h5-17,22-23,36,39-41,54H,4,18-21,24-28,48H2,1-3H3,(H,49,57)(H,50,55)/t39-,40-,41+/m0/s1
Affinity DataEC50:  0.200nMAssay Description:Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50304170(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H29BrN2O4/c28-18-6-3-16(4-7-18)25(32)29-19-9-10-27(33)21-13-17-5-8-20(31)23-22(17)26(27,24(19)34-23)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,33H,1-2,9-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
Affinity DataEC50:  0.200nMAssay Description:Activity at delta opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50341316((S)-N-((S)-1-((S)-3-(1H-indol-3-yl)-1-oxo-1-(3-(tr...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C61H77F3N10O9/c1-7-8-21-48(71-58(81)50(29-39-16-10-9-11-17-39)70-53(76)34-68-54(77)38(6)69-55(78)46(65)31-45-36(4)26-43(75)27-37(45)5)60(83)74-24-15-23-52(74)59(82)73-49(25-35(2)3)57(80)72-51(30-41-33-66-47-22-13-12-20-44(41)47)56(79)67-32-40-18-14-19-42(28-40)61(62,63)64/h9-14,16-20,22,26-28,33,35,38,46,48-52,66,75H,7-8,15,21,23-25,29-32,34,65H2,1-6H3,(H,67,79)(H,68,77)(H,69,78)(H,70,76)(H,71,81)(H,72,80)(H,73,82)/t38-,46+,48+,49+,50+,51+,52+/m1/s1
Affinity DataEC50:  0.200nMAssay Description:Agonist activity at human opioid delta receptor expressed in mouse HN9.10 cells assessed as [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50144258(4-[(8-Benzo[1,3]dioxol-5-ylmethyl-8-aza-bicyclo[3....)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C33H36N2O3/c1-3-34(4-2)33(36)26-13-11-25(12-14-26)32(24-8-6-5-7-9-24)27-19-28-15-16-29(20-27)35(28)21-23-10-17-30-31(18-23)38-22-37-30/h5-14,17-18,28-29H,3-4,15-16,19-22H2,1-2H3
Affinity DataEC50:  0.200nMAssay Description:Effective concentration against stimulation of [35S]-GTP-gammaS, binding in CHO cells transfected with the human opioid receptor delta 1More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50491856(CHEMBL2387214)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C75H100N16O12/c1-48(2)42-62(88-71(99)63(44-51-20-9-5-10-21-51)85-65(93)47-83-67(95)49(3)84-68(96)58(76)43-52-28-30-56(92)31-29-52)70(98)86-60(27-17-37-79-74(77)78)69(97)89-64(45-53-46-82-59-25-14-13-24-57(53)59)72(100)87-61(73(101)102)26-15-16-36-80-75(103)81-38-32-66(94)91(54-22-11-6-12-23-54)55-34-40-90(41-35-55)39-33-50-18-7-4-8-19-50/h4-14,18-25,28-31,46,48-49,55,58,60-64,82,92H,15-17,26-27,32-45,47,76H2,1-3H3,(H,83,95)(H,84,96)(H,85,93)(H,86,98)(H,87,100)(H,88,99)(H,89,97)(H,101,102)(H4,77,78,79)(H2,80,81,103)/t49-,58-,60-,61-,62+,63-,64-/m0/s1
Affinity DataEC50:  0.220nMAssay Description:Agonist activity at human delta opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50302760(CHEMBL568818 | N,N-diethyl-4-((1-(2-(furan-3-yl)et...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccoc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H35N3O3/c1-3-30(4-2)28(33)23-8-10-24(11-9-23)31(26-6-5-7-27(32)20-26)25-13-17-29(18-14-25)16-12-22-15-19-34-21-22/h5-11,15,19-21,25,32H,3-4,12-14,16-18H2,1-2H3
Affinity DataEC50:  0.220nMAssay Description:Agonist activity at human delta opioid receptor by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50302759(CHEMBL584941 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccsc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H35N3O2S/c1-3-30(4-2)28(33)23-8-10-24(11-9-23)31(26-6-5-7-27(32)20-26)25-13-17-29(18-14-25)16-12-22-15-19-34-21-22/h5-11,15,19-21,25,32H,3-4,12-14,16-18H2,1-2H3
Affinity DataEC50:  0.220nMAssay Description:Agonist activity at human delta opioid receptor by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50254124(CHEMBL4103044)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC4(C5[C@H]6CN(C5CCC34C6)C(=O)c3ccoc3)c2c1
Show InChI InChI=1S/C28H32N2O3/c31-21-4-3-18-11-24-27-7-5-23-25(20(13-27)15-30(23)26(32)19-6-10-33-16-19)28(27,22(18)12-21)8-9-29(24)14-17-1-2-17/h3-4,6,10,12,16-17,20,23-25,31H,1-2,5,7-9,11,13-15H2/t20-,23?,24?,25?,27?,28?/m1/s1
Affinity DataEC50:  0.230nMAssay Description:Agonist activity at human recombinant DOR expressed in CHO cells assessed as cAMP accumulationMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50302755(CHEMBL569316 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccn2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C29H36N4O2/c1-3-32(4-2)29(35)23-11-13-25(14-12-23)33(27-9-7-10-28(34)22-27)26-16-20-31(21-17-26)19-15-24-8-5-6-18-30-24/h5-14,18,22,26,34H,3-4,15-17,19-21H2,1-2H3
Affinity DataEC50:  0.25nMAssay Description:Agonist activity at human delta opioid receptor by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50398758(CHEMBL2179656)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OCCCc1ccccc1)ccc5O
Show InChI InChI=1S/C35H33ClN2O3/c1-38-16-15-34-30-24-11-14-28(39)32(30)41-33(34)31-25(18-26(21-37-31)23-9-12-27(36)13-10-23)20-35(34,29(38)19-24)40-17-5-8-22-6-3-2-4-7-22/h2-4,6-7,9-14,18,21,29,33,39H,5,8,15-17,19-20H2,1H3/t29-,33+,34+,35-/m1/s1
Affinity DataEC50:  0.270nMAssay Description:Agonist activity at delta opioid receptor expressed in rat/mouse NG108-15 cells assessed as [35S]GTPgammaS binding by scintillation counting analysisMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50299393(4-((1-benzylpiperidin-4-yl)(3-carbamoylphenyl)amin...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C30H36N4O2/c1-3-33(4-2)30(36)24-13-15-26(16-14-24)34(28-12-8-11-25(21-28)29(31)35)27-17-19-32(20-18-27)22-23-9-6-5-7-10-23/h5-16,21,27H,3-4,17-20,22H2,1-2H3,(H2,31,35)
Affinity DataEC50:  0.300nMAssay Description:Agonist activity at human delta opioid receptor by GTP[gamma]35S binding assayMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50304172(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/s1
Affinity DataEC50:  0.300nMAssay Description:Inverse agonist activity at delta opioid receptor expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50084278(7,7-Spiro analogue ofBuprinorphine | CHEMBL281986)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45
Show InChI InChI=1S/C27H33NO4/c1-31-27-10-9-24(15-25(27)8-2-3-20(25)30)19-13-17-6-7-18(29)22-21(17)26(24,23(27)32-22)11-12-28(19)14-16-4-5-16/h6-7,9-10,16,19-20,23,29-30H,2-5,8,11-15H2,1H3/t19?,20-,23+,24?,25?,26?,27+/m1/s1
Affinity DataEC50:  0.300nMAssay Description:GTPgammaS binding in cloned human Opioid receptor delta 1 transfected into hamster ovary cellsMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50402777(CHEMBL2208347)
Show SMILES C[C@H]1[C@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C33H38N2O2/c1-22-31-20-27-9-10-28(19-30(27)33(22,2)16-18-35(31)21-24-3-4-24)32(37)34-17-15-23-5-7-25(8-6-23)26-11-13-29(36)14-12-26/h5-14,19,22,24,31,36H,3-4,15-18,20-21H2,1-2H3,(H,34,37)/t22-,31+,33+/m0/s1
Affinity DataEC50:  0.310nMAssay Description:Agonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50254132(CHEMBL4083940)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC4(C5[C@H]6CN(C5CCC34C6)C(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C30H34N2O2/c33-23-9-8-21-14-26-29-11-10-25-27(22(16-29)18-32(25)28(34)20-4-2-1-3-5-20)30(29,24(21)15-23)12-13-31(26)17-19-6-7-19/h1-5,8-9,15,19,22,25-27,33H,6-7,10-14,16-18H2/t22-,25?,26?,27?,29?,30?/m1/s1
Affinity DataEC50:  0.310nMAssay Description:Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranesMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50101614(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)NC(C)(C)C
Show InChI InChI=1S/C26H36N4O2S/c1-16-10-21(31)11-17(2)22(16)13-23(27)24(32)30-15-19-9-7-6-8-18(19)12-20(30)14-28-25(33)29-26(3,4)5/h6-11,20,23,31H,12-15,27H2,1-5H3,(H2,28,29,33)/t20-,23-/m0/s1
Affinity DataEC50:  0.320nMAssay Description:Agonist potency using GTP-gamma [35S]- binding assay for delta-opioid receptorMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University

Curated by ChEMBL
LigandPNGBDBM50027103(CHEMBL2113383)
Show SMILES CCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C25H27N3O2/c1-3-26-25-13-16-15-6-4-5-7-17(15)27-21(16)23-24(25)10-11-28(2)19(25)12-14-8-9-18(29)22(30-23)20(14)24/h4-9,19,23,26-27,29H,3,10-13H2,1-2H3/t19?,23-,24-,25+/m0/s1
Affinity DataEC50:  0.330nMAssay Description:Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.More data for this Ligand-Target Pair
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