Compile Data Set for Download or QSAR
Found 154 of ec50 for UniProtKB: P33533
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50009146((S)-4-((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](CCC(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(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
Affinity DataEC50:  0.100nMAssay Description:Agonist activity at rat delta-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-...More data for this Ligand-Target Pair
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50001707(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
Affinity DataEC50:  0.25nMAssay Description:Binding affinity to opiate receptor in rat brain homogenatesMore data for this Ligand-Target Pair
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
Affinity DataEC50:  0.5nMAssay Description:Binding affinity to rat brain opioid receptorMore data for this Ligand-Target Pair
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50496883(CHEMBL3228684)
Show SMILES OS(O)(=O)=O.CN1CC[C@]23[C@@H]4CCC[C@H]2[C@H]1Cc1ccc(O)c(O4)c31
Show InChI InChI=1S/C17H21NO2.H2O4S/c1-18-8-7-17-11-3-2-4-14(17)20-16-13(19)6-5-10(15(16)17)9-12(11)18;1-5(2,3)4/h5-6,11-12,14,19H,2-4,7-9H2,1H3;(H2,1,2,3,4)/t11-,12+,14-,17+;/m0./s1
Affinity DataEC50:  0.600nMAssay Description:Binding affinity to opioid receptor in rat brain homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM82427(CAS_5985-38-6 | LEVORPHANOL-tartarate)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
Affinity DataEC50:  0.700nMAssay Description:Binding affinity to opioid receptor in rat brain homogenatesMore data for this Ligand-Target Pair
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM82427(CAS_5985-38-6 | LEVORPHANOL-tartarate)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
Affinity DataEC50:  0.700nMAssay Description:Binding affinity to opiate receptor in rat brain homogenatesMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50535347(CHEMBL4476818)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3cnc4ccccc4c3)cc12
Show InChI InChI=1S/C34H36N4O3.C2HF3O2/c1-20-13-26(39)14-21(2)27(20)18-29(35)33(40)37-31-11-12-38(34(41)24-8-9-24)32-10-7-22(17-28(31)32)15-23-16-25-5-3-4-6-30(25)36-19-23;3-2(4,5)1(6)7/h3-7,10,13-14,16-17,19,24,29,31,39H,8-9,11-12,15,18,35H2,1-2H3,(H,37,40);(H,6,7)/t29-,31+;/m0./s1
Affinity DataEC50:  0.710nMAssay Description:Agonist activity at rat delta opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 h...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50241341((-)-(5R)-4,5-Epoxy-3-hydroxy-9alpha-methylmorphina...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CCC4=O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1
Affinity DataEC50:  1nMAssay Description:Binding affinity to opioid receptor in rat brain homogenatesMore data for this Ligand-Target Pair
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50001707(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
Affinity DataEC50:  1nMAssay Description:Binding affinity to rat brain opioid receptorMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50274686(CHEMBL4129679)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C28H39N7O6/c1-16-11-19(36)12-17(2)20(16)14-21(29)25(39)34-22(9-6-10-32-28(30)31)27(41)35-23(26(40)33-15-24(37)38)13-18-7-4-3-5-8-18/h3-5,7-8,11-12,21-23,36H,6,9-10,13-15,29H2,1-2H3,(H,33,40)(H,34,39)(H,35,41)(H,37,38)(H4,30,31,32)/t21-,22+,23-/m0/s1
Affinity DataEC50:  1.10nMAssay Description:Agonist activity at rat delta-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-...More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

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:  1.40nMAssay Description:Agonist activity at rat delta opioid receptor expressed in CHO cells incubated for 1 hr by [35S]GTPgammaS binding based liquid scintillation counting...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50496887(CHEMBL3228707)
Show SMILES Oc1ccc2CC3C4CCCC[C@]4(CCN3CCC#N)c2c1
Show InChI InChI=1S/C19H24N2O/c20-9-3-10-21-11-8-19-7-2-1-4-16(19)18(21)12-14-5-6-15(22)13-17(14)19/h5-6,13,16,18,22H,1-4,7-8,10-12H2/t16?,18?,19-/m1/s1
Affinity DataEC50:  1.5nMAssay Description:Binding affinity to opiate receptor in rat brain homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
Affinity DataEC50:  1.5nMAssay Description:Binding affinity to rat brain opioid receptorMore data for this Ligand-Target Pair
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50367061(NALORPHINE | NALORPHINE HYDROCHLORIDE)
Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45
Show InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1
Affinity DataEC50:  1.5nMAssay Description:Binding affinity to opioid receptor in rat brain homogenatesMore data for this Ligand-Target Pair
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50367061(NALORPHINE | NALORPHINE HYDROCHLORIDE)
Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45
Show InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1
Affinity DataEC50:  1.5nMAssay Description:Binding affinity to rat brain opioid receptorMore data for this Ligand-Target Pair
LigandPNGBDBM50367061(NALORPHINE | NALORPHINE HYDROCHLORIDE)
Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45
Show InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1
Affinity DataEC50:  1.5nMAssay Description:Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membraneMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50535339(CHEMBL4453526)
Show SMILES OC(=O)C(F)(F)F.CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3cc4ccccc4o3)ccc12
Show InChI InChI=1S/C31H33N3O4.C2HF3O2/c1-18-12-23(36)13-19(2)25(18)17-27(32)31(37)33-28-10-11-34(20(3)35)29-9-8-21(15-26(28)29)14-24-16-22-6-4-5-7-30(22)38-24;3-2(4,5)1(6)7/h4-9,12-13,15-16,27-28,36H,10-11,14,17,32H2,1-3H3,(H,33,37);(H,6,7)/t27-,28+;/m0./s1
Affinity DataEC50:  1.60nMAssay Description:Agonist activity at rat delta opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 h...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50535337(CHEMBL4446945)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccc4ccccc4c3)cc12
Show InChI InChI=1S/C35H37N3O3.C2HF3O2/c1-21-15-28(39)16-22(2)29(21)20-31(36)34(40)37-32-13-14-38(35(41)26-10-11-26)33-12-8-24(19-30(32)33)17-23-7-9-25-5-3-4-6-27(25)18-23;3-2(4,5)1(6)7/h3-9,12,15-16,18-19,26,31-32,39H,10-11,13-14,17,20,36H2,1-2H3,(H,37,40);(H,6,7)/t31-,32+;/m0./s1
Affinity DataEC50:  1.90nMAssay Description:Agonist activity at rat delta opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 h...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50231237(CHEBI:6125 | Cetobemidone | Cliradon | Cymidon | K...)
Show SMILES CCC(=O)C1(CCN(C)CC1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3
Affinity DataEC50:  2nMAssay Description:Displacement of radiolabeled dihydromorphine from opioid receptor in rat brain homogenatesMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50274689(CHEMBL4126050)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C25H32N4O6/c1-14-9-18(30)10-15(2)19(14)12-20(26)24(34)28-16(3)23(33)29-21(25(35)27-13-22(31)32)11-17-7-5-4-6-8-17/h4-10,16,20-21,30H,11-13,26H2,1-3H3,(H,27,35)(H,28,34)(H,29,33)(H,31,32)/t16-,20+,21+/m1/s1
Affinity DataEC50:  2.40nMAssay Description:Agonist activity at rat delta-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-...More data for this Ligand-Target Pair
LigandPNGBDBM50000092((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
Affinity DataEC50:  3nMAssay Description:Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membraneMore data for this Ligand-Target Pair
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50452273(Dihydromorphine)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
Affinity DataEC50:  3nMAssay Description:Binding affinity to opioid receptor in rat brain homogenatesMore data for this Ligand-Target Pair
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50496890(CHEMBL3228703)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3C1(C)CCN2CCC#N
Show InChI InChI=1S/C17H22N2O/c1-12-16-10-13-4-5-14(20)11-15(13)17(12,2)6-9-19(16)8-3-7-18/h4-5,11-12,16,20H,3,6,8-10H2,1-2H3/t12-,16?,17?/m0/s1
Affinity DataEC50:  3nMAssay Description:Binding affinity to opiate receptor in rat brain homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50000092((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
Affinity DataEC50:  3nMAssay Description:Binding affinity to opioid receptor in rat brain homogenatesMore data for this Ligand-Target Pair
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50000092((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
Affinity DataEC50:  3nMAssay Description:Displacement of radiolabeled dihydromorphine from opioid receptor in rat brain homogenatesMore data for this Ligand-Target Pair
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50000092((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
Affinity DataEC50:  3nMAssay Description:Binding affinity to opiate receptor in rat brain homogenatesMore data for this Ligand-Target Pair
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50496890(CHEMBL3228703)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3C1(C)CCN2CCC#N
Show InChI InChI=1S/C17H22N2O/c1-12-16-10-13-4-5-14(20)11-15(13)17(12,2)6-9-19(16)8-3-7-18/h4-5,11-12,16,20H,3,6,8-10H2,1-2H3/t12-,16?,17?/m0/s1
Affinity DataEC50:  3nMAssay Description:Binding affinity to opiate receptor in rat brain homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50000092((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
Affinity DataEC50:  3nMAssay Description:Binding affinity to rat brain opioid receptorMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50535349(CHEMBL4451910)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3cc4ccccc4o3)cc12
Show InChI InChI=1S/C33H35N3O4.C2HF3O2/c1-19-13-24(37)14-20(2)26(19)18-28(34)32(38)35-29-11-12-36(33(39)22-8-9-22)30-10-7-21(16-27(29)30)15-25-17-23-5-3-4-6-31(23)40-25;3-2(4,5)1(6)7/h3-7,10,13-14,16-17,22,28-29,37H,8-9,11-12,15,18,34H2,1-2H3,(H,35,38);(H,6,7)/t28-,29+;/m0./s1
Affinity DataEC50:  3.70nMAssay Description:Agonist activity at rat delta opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 h...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50496877(CHEMBL33376)
Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2C
Show InChI InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3
Affinity DataEC50:  4nMAssay Description:Binding affinity to opiate receptor in rat brain homogenatesMore data for this Ligand-Target Pair
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50496886(CHEMBL3228705)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3C1(C)CCN2CCCC#N
Show InChI InChI=1S/C18H24N2O/c1-13-17-11-14-5-6-15(21)12-16(14)18(13,2)7-10-20(17)9-4-3-8-19/h5-6,12-13,17,21H,3-4,7,9-11H2,1-2H3/t13-,17?,18?/m0/s1
Affinity DataEC50:  4nMAssay Description:Binding affinity to opiate receptor in rat brain homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50496876(CHEMBL3228291)
Show SMILES CC[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#N
Show InChI InChI=1S/C18H24N2O/c1-3-15-17-11-13-5-6-14(21)12-16(13)18(15,2)7-10-20(17)9-4-8-19/h5-6,12,15,17,21H,3-4,7,9-11H2,1-2H3/t15-,17?,18-/m0/s1
Affinity DataEC50:  4nMAssay Description:Displacement of radiolabeled dihydromorphine from opioid receptor in rat brain homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50274679(CHEMBL4128530)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N(C)[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O
Show InChI InChI=1S/C28H37N5O5/c1-6-19-9-7-8-10-20(19)13-24(27(37)31-15-25(30)35)33(5)28(38)18(4)32-26(36)23(29)14-22-16(2)11-21(34)12-17(22)3/h6-12,18,23-24,34H,1,13-15,29H2,2-5H3,(H2,30,35)(H,31,37)(H,32,36)/t18-,23+,24+/m1/s1
Affinity DataEC50:  4.40nMAssay Description:Agonist activity at rat delta-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50274741(CHEMBL4126470)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C31H37N5O5/c1-18-13-23(37)14-19(2)25(18)16-26(32)30(40)35-20(3)29(39)36-27(31(41)34-17-28(33)38)15-22-11-7-8-12-24(22)21-9-5-4-6-10-21/h4-14,20,26-27,37H,15-17,32H2,1-3H3,(H2,33,38)(H,34,41)(H,35,40)(H,36,39)/t20-,26+,27+/m1/s1
Affinity DataEC50:  4.90nMAssay Description:Tested for thromboxane antagonist potency (pA2) against U 44619 induced platelet aggregation using human platelet rich plasmaMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50185312(CHEMBL3823787)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CCC2)c2ccc(Cc3ccccc3)cc12
Show InChI InChI=1S/C32H37N3O3/c1-20-15-25(36)16-21(2)26(20)19-28(33)31(37)34-29-13-14-35(32(38)24-9-6-10-24)30-12-11-23(18-27(29)30)17-22-7-4-3-5-8-22/h3-5,7-8,11-12,15-16,18,24,28-29,36H,6,9-10,13-14,17,19,33H2,1-2H3,(H,34,37)/t28-,29+/m0/s1
Affinity DataEC50:  5.10nMAssay Description:Agonist activity at rat DOR transfected in rat C6 cell membranes after 1 hr by [35S]GTPgammaS assayMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50274694(CHEMBL4129901)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O
Show InChI InChI=1S/C27H35N5O5/c1-5-18-8-6-7-9-19(18)12-23(27(37)30-14-24(29)34)32-25(35)17(4)31-26(36)22(28)13-21-15(2)10-20(33)11-16(21)3/h5-11,17,22-23,33H,1,12-14,28H2,2-4H3,(H2,29,34)(H,30,37)(H,31,36)(H,32,35)/t17-,22+,23+/m1/s1
Affinity DataEC50:  5.80nMAssay Description:Agonist activity at rat delta-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-...More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50535343(CHEMBL4550332)
Show SMILES OC(=O)C(F)(F)F.CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3cnc4ccccc4c3)ccc12
Show InChI InChI=1S/C32H34N4O3.C2HF3O2/c1-19-12-25(38)13-20(2)26(19)17-28(33)32(39)35-30-10-11-36(21(3)37)31-9-8-22(16-27(30)31)14-23-15-24-6-4-5-7-29(24)34-18-23;3-2(4,5)1(6)7/h4-9,12-13,15-16,18,28,30,38H,10-11,14,17,33H2,1-3H3,(H,35,39);(H,6,7)/t28-,30+;/m0./s1
Affinity DataEC50:  5.80nMAssay Description:Agonist activity at rat delta opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 h...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50225933(CHEMBL2310921)
Show SMILES OC(=O)C(O)=O.COC(=O)\C=C\C(=O)N[C@H]1C[C@]23C=CC1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O
Show InChI InChI=1S/C28H32N2O6.C2H2O4/c1-34-22(33)8-7-21(32)29-19-14-26-9-10-28(19,35-2)25-27(26)11-12-30(15-16-3-4-16)20(26)13-17-5-6-18(31)24(36-25)23(17)27;3-1(4)2(5)6/h5-10,16,19-20,25,31H,3-4,11-15H2,1-2H3,(H,29,32);(H,3,4)(H,5,6)/b8-7+;/t19-,20+,25+,26+,27-,28?;/m0./s1
Affinity DataEC50:  6nMAssay Description:Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membraneMore data for this Ligand-Target Pair
LigandPNGBDBM50225937(CHEMBL3038189)
Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1N)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C23H28N2O3/c1-27-23-7-6-21(11-16(23)24)17-10-14-4-5-15(26)19-18(14)22(21,20(23)28-19)8-9-25(17)12-13-2-3-13/h4-7,13,16-17,20,26H,2-3,8-12,24H2,1H3/t16-,17+,20+,21+,22-,23+/m0/s1
Affinity DataEC50:  6nMAssay Description:Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membraneMore data for this Ligand-Target Pair
LigandPNGBDBM50225935(CHEMBL2310915)
Show SMILES OC(=O)C(O)=O.COC12C=C[C@@]3(C[C@@H]1N=S)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C23H26N2O3S.C2H2O4/c1-27-23-7-6-21(11-16(23)24-29)17-10-14-4-5-15(26)19-18(14)22(21,20(23)28-19)8-9-25(17)12-13-2-3-13;3-1(4)2(5)6/h4-7,13,16-17,20,26H,2-3,8-12H2,1H3;(H,3,4)(H,5,6)/t16-,17+,20+,21+,22-,23?;/m0./s1
Affinity DataEC50:  7nMAssay Description:Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membraneMore data for this Ligand-Target Pair
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50496891(CHEMBL3228708)
Show SMILES Oc1ccc2CC3C4CCCC[C@]4(CCN3CC#N)c2c1
Show InChI InChI=1S/C18H22N2O/c19-8-10-20-9-7-18-6-2-1-3-15(18)17(20)11-13-4-5-14(21)12-16(13)18/h4-5,12,15,17,21H,1-3,6-7,9-11H2/t15?,17?,18-/m1/s1
Affinity DataEC50:  7nMAssay Description:Binding affinity to opiate receptor in rat brain homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50274696(CHEMBL4126102)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O
Show InChI InChI=1S/C30H42N8O5/c1-4-19-8-5-6-9-20(19)14-25(28(42)36-16-26(32)40)38-29(43)24(10-7-11-35-30(33)34)37-27(41)23(31)15-22-17(2)12-21(39)13-18(22)3/h4-6,8-9,12-13,23-25,39H,1,7,10-11,14-16,31H2,2-3H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H4,33,34,35)/t23-,24+,25-/m0/s1
Affinity DataEC50:  7nMAssay Description:Agonist activity at rat delta-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-...More data for this Ligand-Target Pair
LigandPNGBDBM50225936(CHEMBL3038190)
Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1NC(=O)CBr)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C25H29BrN2O4/c1-31-25-7-6-23(11-17(25)27-19(30)12-26)18-10-15-4-5-16(29)21-20(15)24(23,22(25)32-21)8-9-28(18)13-14-2-3-14/h4-7,14,17-18,22,29H,2-3,8-13H2,1H3,(H,27,30)/t17-,18+,22+,23+,24-,25+/m0/s1
Affinity DataEC50:  7nMAssay Description:Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membraneMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50240354(CHEMBL274844 | N-{1-[2-(4-Isothiocyanato-phenyl)-e...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccc(cc2)N=C=S)CC1)c1ccccc1
Show InChI InChI=1S/C23H27N3OS/c1-2-23(27)26(21-6-4-3-5-7-21)22-13-16-25(17-14-22)15-12-19-8-10-20(11-9-19)24-18-28/h3-11,22H,2,12-17H2,1H3
Affinity DataEC50:  8nMAssay Description:The binding affinity was evaluated against [3H]dalamid binding to neuroblastoma X glioma hybrid cell NG108-15 (Opioid receptor delta 1)membranesMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50185309(CHEMBL3824052)
Show SMILES CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12
Show InChI InChI=1S/C31H37N3O3/c1-4-8-30(36)34-14-13-28(26-18-23(11-12-29(26)34)17-22-9-6-5-7-10-22)33-31(37)27(32)19-25-20(2)15-24(35)16-21(25)3/h5-7,9-12,15-16,18,27-28,35H,4,8,13-14,17,19,32H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
Affinity DataEC50:  8.10nMAssay Description:Agonist activity at rat DOR transfected in rat C6 cell membranes after 1 hr by [35S]GTPgammaS assayMore data for this Ligand-Target Pair
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50496877(CHEMBL33376)
Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2C
Show InChI InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3
Affinity DataEC50:  9nMAssay Description:Displacement of radiolabeled dihydromorphine from opioid receptor in rat brain homogenatesMore data for this Ligand-Target Pair
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50496873(CHEMBL3228292)
Show SMILES CC[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC(N)=O
Show InChI InChI=1S/C18H26N2O2/c1-3-14-16-10-12-4-5-13(21)11-15(12)18(14,2)7-9-20(16)8-6-17(19)22/h4-5,11,14,16,21H,3,6-10H2,1-2H3,(H2,19,22)/t14-,16?,18-/m0/s1
Affinity DataEC50:  9nMAssay Description:Displacement of radiolabeled dihydromorphine from opioid receptor in rat brain homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50185311(CHEMBL3823231)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccccc3)cc12
Show InChI InChI=1S/C31H35N3O3/c1-19-14-24(35)15-20(2)25(19)18-27(32)30(36)33-28-12-13-34(31(37)23-9-10-23)29-11-8-22(17-26(28)29)16-21-6-4-3-5-7-21/h3-8,11,14-15,17,23,27-28,35H,9-10,12-13,16,18,32H2,1-2H3,(H,33,36)/t27-,28+/m0/s1
Affinity DataEC50:  10nMAssay Description:Agonist activity at rat DOR transfected in rat C6 cell membranes after 1 hr by [35S]GTPgammaS assayMore data for this Ligand-Target Pair
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50496881(CHEMBL3228683)
Show SMILES Cl.C1C[C@@H]2Oc3cccc4C[C@H]5NCC[C@]2([C@H]5C1)c34
Show InChI InChI=1S/C16H19NO.ClH/c1-3-10-9-12-11-4-2-6-14-16(11,7-8-17-12)15(10)13(5-1)18-14;/h1,3,5,11-12,14,17H,2,4,6-9H2;1H/t11-,12+,14-,16+;/m0./s1
Affinity DataEC50:  10nMAssay Description:Binding affinity to opioid receptor in rat brain homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50535340(CHEMBL4521319)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cc3ccccc3)cc12)S(C)(=O)=O
Show InChI InChI=1S/C28H33N3O4S.C2HF3O2/c1-18-13-22(32)14-19(2)23(18)17-25(29)28(33)30-26-11-12-31(36(3,34)35)27-10-9-21(16-24(26)27)15-20-7-5-4-6-8-20;3-2(4,5)1(6)7/h4-10,13-14,16,25-26,32H,11-12,15,17,29H2,1-3H3,(H,30,33);(H,6,7)/t25-,26+;/m0./s1
Affinity DataEC50:  12nMAssay Description:Agonist activity at rat delta opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 h...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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