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PubMed code 1851843

Compile data set for download or QSAR
Found 96 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Delta-type opioid receptor


(MOUSE)
BDBM50009142
PNG
((S)-3-((S)-2-{(S)-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-/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009193
PNG
((S)-4-((S)-2-{(S)-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(N)=O
Show InChI InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009190
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C47H64N8O11S2/c1-27(2)22-37(45(64)51-35(19-21-68-4)43(62)52-36(41(49)60)26-40(58)59)53-46(65)39(25-30-12-16-32(57)17-13-30)55-47(66)38(24-28-8-6-5-7-9-28)54-44(63)34(18-20-67-3)50-42(61)33(48)23-29-10-14-31(56)15-11-29/h5-17,27,33-39,56-57H,18-26,48H2,1-4H3,(H2,49,60)(H,50,61)(H,51,64)(H,52,62)(H,53,65)(H,54,63)(H,55,66)(H,58,59)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009142
PNG
((S)-3-((S)-2-{(S)-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-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009194
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H61N9O11S2/c1-25(2)18-33(41(60)49-32(15-17-66-4)40(59)53-36(44(63)64)22-37(55)56)50-43(62)35(21-28-23-46-24-47-28)52-42(61)34(20-26-8-6-5-7-9-26)51-39(58)31(14-16-65-3)48-38(57)30(45)19-27-10-12-29(54)13-11-27/h5-13,23-25,30-36,54H,14-22,45H2,1-4H3,(H,46,47)(H,48,57)(H,49,60)(H,50,62)(H,51,58)(H,52,61)(H,53,59)(H,55,56)(H,63,64)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009180
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50059841
PNG
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009142
PNG
((S)-3-((S)-2-{(S)-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-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009198
PNG
(2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl...)
Show SMILES CC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C44H64N10O8S2/c1-6-32(38(46)56)49-40(58)34(17-19-64-5)51-42(60)35(20-26(2)3)52-44(62)37(23-29-24-47-25-48-29)54-43(61)36(22-27-10-8-7-9-11-27)53-41(59)33(16-18-63-4)50-39(57)31(45)21-28-12-14-30(55)15-13-28/h7-15,24-26,31-37,55H,6,16-23,45H2,1-5H3,(H2,46,56)(H,47,48)(H,49,58)(H,50,57)(H,51,60)(H,52,62)(H,53,59)(H,54,61)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009183
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=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/C38H55N9O9/c1-20(2)31(37(55)42-19-30(41)50)47-38(56)32(21(3)4)46-35(53)27(15-16-29(40)49)44-36(54)28(18-23-9-7-6-8-10-23)45-33(51)22(5)43-34(52)26(39)17-24-11-13-25(48)14-12-24/h6-14,20-22,26-28,31-32,48H,15-19,39H2,1-5H3,(H2,40,49)(H2,41,50)(H,42,55)(H,43,52)(H,44,54)(H,45,51)(H,46,53)(H,47,56)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in mouse vas deferens (MVD) assay mediated by Opioid receptor delta 1


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009196
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C47H64N8O10S2/c1-28(2)23-37(45(63)51-35(20-22-67-4)43(61)52-36(41(49)59)27-40(57)58)53-46(64)39(26-30-13-9-6-10-14-30)55-47(65)38(25-29-11-7-5-8-12-29)54-44(62)34(19-21-66-3)50-42(60)33(48)24-31-15-17-32(56)18-16-31/h5-18,28,33-39,56H,19-27,48H2,1-4H3,(H2,49,59)(H,50,60)(H,51,63)(H,52,61)(H,53,64)(H,54,62)(H,55,65)(H,57,58)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009187
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C40H58N8O10S2/c1-23(2)18-31(40(58)46-29(15-17-60-4)38(56)47-30(35(42)53)21-34(51)52)44-33(50)22-43-37(55)32(20-24-8-6-5-7-9-24)48-39(57)28(14-16-59-3)45-36(54)27(41)19-25-10-12-26(49)13-11-25/h5-13,23,27-32,49H,14-22,41H2,1-4H3,(H2,42,53)(H,43,55)(H,44,50)(H,45,54)(H,46,58)(H,47,56)(H,48,57)(H,51,52)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in mouse vas deferens (MVD) assay mediated by Opioid receptor delta 1


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009194
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H61N9O11S2/c1-25(2)18-33(41(60)49-32(15-17-66-4)40(59)53-36(44(63)64)22-37(55)56)50-43(62)35(21-28-23-46-24-47-28)52-42(61)34(20-26-8-6-5-7-9-26)51-39(58)31(14-16-65-3)48-38(57)30(45)19-27-10-12-29(54)13-11-27/h5-13,23-25,30-36,54H,14-22,45H2,1-4H3,(H,46,47)(H,48,57)(H,49,60)(H,50,62)(H,51,58)(H,52,61)(H,53,59)(H,55,56)(H,63,64)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001683
PNG
(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
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n/an/a 2.70n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in mouse vas deferens (MVD) assay mediated by Opioid receptor delta 1


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50059841
PNG
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009193
PNG
((S)-4-((S)-2-{(S)-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(N)=O
Show InChI InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009193
PNG
((S)-4-((S)-2-{(S)-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(N)=O
Show InChI InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009183
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=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/C38H55N9O9/c1-20(2)31(37(55)42-19-30(41)50)47-38(56)32(21(3)4)46-35(53)27(15-16-29(40)49)44-36(54)28(18-23-9-7-6-8-10-23)45-33(51)22(5)43-34(52)26(39)17-24-11-13-25(48)14-12-24/h6-14,20-22,26-28,31-32,48H,15-19,39H2,1-5H3,(H2,40,49)(H2,41,50)(H,42,55)(H,43,52)(H,44,54)(H,45,51)(H,46,53)(H,47,56)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]DSLET (Opioid receptor delta 1-selective radioligand)


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009192
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
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(N)=O
Show InChI InChI=1S/C35H49N7O9/c1-18(2)28(30(37)46)41-35(51)29(19(3)4)42-34(50)26(17-27(44)45)40-33(49)25(16-21-9-7-6-8-10-21)39-31(47)20(5)38-32(48)24(36)15-22-11-13-23(43)14-12-22/h6-14,18-20,24-26,28-29,43H,15-17,36H2,1-5H3,(H2,37,46)(H,38,48)(H,39,47)(H,40,49)(H,41,51)(H,42,50)(H,44,45)/t20-,24-,25-,26-,28-,29-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(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
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n/an/a 3.90n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009194
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H61N9O11S2/c1-25(2)18-33(41(60)49-32(15-17-66-4)40(59)53-36(44(63)64)22-37(55)56)50-43(62)35(21-28-23-46-24-47-28)52-42(61)34(20-26-8-6-5-7-9-26)51-39(58)31(14-16-65-3)48-38(57)30(45)19-27-10-12-29(54)13-11-27/h5-13,23-25,30-36,54H,14-22,45H2,1-4H3,(H,46,47)(H,48,57)(H,49,60)(H,50,62)(H,51,58)(H,52,61)(H,53,59)(H,55,56)(H,63,64)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009185
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
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-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001683
PNG
(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
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n/an/a 5.80n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]DSLET (Opioid receptor delta 1-selective radioligand)


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009190
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C47H64N8O11S2/c1-27(2)22-37(45(64)51-35(19-21-68-4)43(62)52-36(41(49)60)26-40(58)59)53-46(65)39(25-30-12-16-32(57)17-13-30)55-47(66)38(24-28-8-6-5-7-9-28)54-44(63)34(18-20-67-3)50-42(61)33(48)23-29-10-14-31(56)15-11-29/h5-17,27,33-39,56-57H,18-26,48H2,1-4H3,(H2,49,60)(H,50,61)(H,51,64)(H,52,62)(H,53,65)(H,54,63)(H,55,66)(H,58,59)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009180
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009198
PNG
(2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl...)
Show SMILES CC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C44H64N10O8S2/c1-6-32(38(46)56)49-40(58)34(17-19-64-5)51-42(60)35(20-26(2)3)52-44(62)37(23-29-24-47-25-48-29)54-43(61)36(22-27-10-8-7-9-11-27)53-41(59)33(16-18-63-4)50-39(57)31(45)21-28-12-14-30(55)15-13-28/h7-15,24-26,31-37,55H,6,16-23,45H2,1-5H3,(H2,46,56)(H,47,48)(H,49,58)(H,50,57)(H,51,60)(H,52,62)(H,53,59)(H,54,61)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 7.40n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009192
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
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(N)=O
Show InChI InChI=1S/C35H49N7O9/c1-18(2)28(30(37)46)41-35(51)29(19(3)4)42-34(50)26(17-27(44)45)40-33(49)25(16-21-9-7-6-8-10-21)39-31(47)20(5)38-32(48)24(36)15-22-11-13-23(43)14-12-22/h6-14,18-20,24-26,28-29,43H,15-17,36H2,1-5H3,(H2,37,46)(H,38,48)(H,39,47)(H,40,49)(H,41,51)(H,42,50)(H,44,45)/t20-,24-,25-,26-,28-,29-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009187
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C40H58N8O10S2/c1-23(2)18-31(40(58)46-29(15-17-60-4)38(56)47-30(35(42)53)21-34(51)52)44-33(50)22-43-37(55)32(20-24-8-6-5-7-9-24)48-39(57)28(14-16-59-3)45-36(54)27(41)19-25-10-12-26(49)13-11-25/h5-13,23,27-32,49H,14-22,41H2,1-4H3,(H2,42,53)(H,43,55)(H,44,50)(H,45,54)(H,46,58)(H,47,56)(H,48,57)(H,51,52)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]- DPDPE (Opioid receptor delta 1-selective radioligand...


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009182
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C44H63N11O9S2/c1-25(2)18-34(42(62)51-32(15-17-66-4)40(60)52-33(38(47)58)22-37(46)57)53-44(64)36(21-28-23-48-24-49-28)55-43(63)35(20-26-8-6-5-7-9-26)54-41(61)31(14-16-65-3)50-39(59)30(45)19-27-10-12-29(56)13-11-27/h5-13,23-25,30-36,56H,14-22,45H2,1-4H3,(H2,46,57)(H2,47,58)(H,48,49)(H,50,59)(H,51,62)(H,52,60)(H,53,64)(H,54,61)(H,55,63)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009180
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009181
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-33(41(60)50-32(15-17-66-4)40(59)54-36(44(63)64)22-37(46)56)51-43(62)35(21-28-23-47-24-48-28)53-42(61)34(20-26-8-6-5-7-9-26)52-39(58)31(14-16-65-3)49-38(57)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,56)(H,47,48)(H,49,57)(H,50,60)(H,51,62)(H,52,58)(H,53,61)(H,54,59)(H,63,64)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009190
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C47H64N8O11S2/c1-27(2)22-37(45(64)51-35(19-21-68-4)43(62)52-36(41(49)60)26-40(58)59)53-46(65)39(25-30-12-16-32(57)17-13-30)55-47(66)38(24-28-8-6-5-7-9-28)54-44(63)34(18-20-67-3)50-42(61)33(48)23-29-10-14-31(56)15-11-29/h5-17,27,33-39,56-57H,18-26,48H2,1-4H3,(H2,49,60)(H,50,61)(H,51,64)(H,52,62)(H,53,65)(H,54,63)(H,55,66)(H,58,59)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 9.10n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009196
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C47H64N8O10S2/c1-28(2)23-37(45(63)51-35(20-22-67-4)43(61)52-36(41(49)59)27-40(57)58)53-46(64)39(26-30-13-9-6-10-14-30)55-47(65)38(25-29-11-7-5-8-12-29)54-44(62)34(19-21-66-3)50-42(60)33(48)24-31-15-17-32(56)18-16-31/h5-18,28,33-39,56H,19-27,48H2,1-4H3,(H2,49,59)(H,50,60)(H,51,63)(H,52,61)(H,53,64)(H,54,62)(H,55,65)(H,57,58)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009184
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C36H50N8O10/c1-5-25(35(53)42-26(31(38)49)17-29(47)48)41-36(54)30(19(2)3)44-28(46)18-39-34(52)27(16-21-9-7-6-8-10-21)43-32(50)20(4)40-33(51)24(37)15-22-11-13-23(45)14-12-22/h6-14,19-20,24-27,30,45H,5,15-18,37H2,1-4H3,(H2,38,49)(H,39,52)(H,40,51)(H,41,54)(H,42,53)(H,43,50)(H,44,46)(H,47,48)/t20-,24-,25-,26-,27-,30-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in mouse vas deferens (MVD) assay mediated by Opioid receptor delta 1


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009187
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C40H58N8O10S2/c1-23(2)18-31(40(58)46-29(15-17-60-4)38(56)47-30(35(42)53)21-34(51)52)44-33(50)22-43-37(55)32(20-24-8-6-5-7-9-24)48-39(57)28(14-16-59-3)45-36(54)27(41)19-25-10-12-26(49)13-11-25/h5-13,23,27-32,49H,14-22,41H2,1-4H3,(H2,42,53)(H,43,55)(H,44,50)(H,45,54)(H,46,58)(H,47,56)(H,48,57)(H,51,52)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]DSLET (Opioid receptor delta 1-selective radioligand)


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009196
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C47H64N8O10S2/c1-28(2)23-37(45(63)51-35(20-22-67-4)43(61)52-36(41(49)59)27-40(57)58)53-46(64)39(26-30-13-9-6-10-14-30)55-47(65)38(25-29-11-7-5-8-12-29)54-44(62)34(19-21-66-3)50-42(60)33(48)24-31-15-17-32(56)18-16-31/h5-18,28,33-39,56H,19-27,48H2,1-4H3,(H2,49,59)(H,50,60)(H,51,63)(H,52,61)(H,53,64)(H,54,62)(H,55,65)(H,57,58)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009181
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-33(41(60)50-32(15-17-66-4)40(59)54-36(44(63)64)22-37(46)56)51-43(62)35(21-28-23-47-24-48-28)53-42(61)34(20-26-8-6-5-7-9-26)52-39(58)31(14-16-65-3)49-38(57)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,56)(H,47,48)(H,49,57)(H,50,60)(H,51,62)(H,52,58)(H,53,61)(H,54,59)(H,63,64)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009198
PNG
(2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl...)
Show SMILES CC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C44H64N10O8S2/c1-6-32(38(46)56)49-40(58)34(17-19-64-5)51-42(60)35(20-26(2)3)52-44(62)37(23-29-24-47-25-48-29)54-43(61)36(22-27-10-8-7-9-11-27)53-41(59)33(16-18-63-4)50-39(57)31(45)21-28-12-14-30(55)15-13-28/h7-15,24-26,31-37,55H,6,16-23,45H2,1-5H3,(H2,46,56)(H,47,48)(H,49,58)(H,50,57)(H,51,60)(H,52,62)(H,53,59)(H,54,61)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009182
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C44H63N11O9S2/c1-25(2)18-34(42(62)51-32(15-17-66-4)40(60)52-33(38(47)58)22-37(46)57)53-44(64)36(21-28-23-48-24-49-28)55-43(63)35(20-26-8-6-5-7-9-26)54-41(61)31(14-16-65-3)50-39(59)30(45)19-27-10-12-29(56)13-11-27/h5-13,23-25,30-36,56H,14-22,45H2,1-4H3,(H2,46,57)(H2,47,58)(H,48,49)(H,50,59)(H,51,62)(H,52,60)(H,53,64)(H,54,61)(H,55,63)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50059841
PNG
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009182
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C44H63N11O9S2/c1-25(2)18-34(42(62)51-32(15-17-66-4)40(60)52-33(38(47)58)22-37(46)57)53-44(64)36(21-28-23-48-24-49-28)55-43(63)35(20-26-8-6-5-7-9-26)54-41(61)31(14-16-65-3)50-39(59)30(45)19-27-10-12-29(56)13-11-27/h5-13,23-25,30-36,56H,14-22,45H2,1-4H3,(H2,46,57)(H2,47,58)(H,48,49)(H,50,59)(H,51,62)(H,52,60)(H,53,64)(H,54,61)(H,55,63)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009181
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-33(41(60)50-32(15-17-66-4)40(59)54-36(44(63)64)22-37(46)56)51-43(62)35(21-28-23-47-24-48-28)53-42(61)34(20-26-8-6-5-7-9-26)52-39(58)31(14-16-65-3)49-38(57)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,56)(H,47,48)(H,49,57)(H,50,60)(H,51,62)(H,52,58)(H,53,61)(H,54,59)(H,63,64)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009184
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C36H50N8O10/c1-5-25(35(53)42-26(31(38)49)17-29(47)48)41-36(54)30(19(2)3)44-28(46)18-39-34(52)27(16-21-9-7-6-8-10-21)43-32(50)20(4)40-33(51)24(37)15-22-11-13-23(45)14-12-22/h6-14,19-20,24-27,30,45H,5,15-18,37H2,1-4H3,(H2,38,49)(H,39,52)(H,40,51)(H,41,54)(H,42,53)(H,43,50)(H,44,46)(H,47,48)/t20-,24-,25-,26-,27-,30-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]DSLET (Opioid receptor delta 1-selective radioligand)


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000092
PNG
((-)-(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
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n/an/a 38n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009186
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C42H59N7O13S2/c1-23(2)18-30(39(58)45-29(15-17-64-4)38(57)49-33(42(61)62)22-35(53)54)46-41(60)32(21-34(51)52)48-40(59)31(20-24-8-6-5-7-9-24)47-37(56)28(14-16-63-3)44-36(55)27(43)19-25-10-12-26(50)13-11-25/h5-13,23,27-33,50H,14-22,43H2,1-4H3,(H,44,55)(H,45,58)(H,46,60)(H,47,56)(H,48,59)(H,49,57)(H,51,52)(H,53,54)(H,61,62)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]- DPDPE (Opioid receptor delta 1-selective radioligand...


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009196
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C47H64N8O10S2/c1-28(2)23-37(45(63)51-35(20-22-67-4)43(61)52-36(41(49)59)27-40(57)58)53-46(64)39(26-30-13-9-6-10-14-30)55-47(65)38(25-29-11-7-5-8-12-29)54-44(62)34(19-21-66-3)50-42(60)33(48)24-31-15-17-32(56)18-16-31/h5-18,28,33-39,56H,19-27,48H2,1-4H3,(H2,49,59)(H,50,60)(H,51,63)(H,52,61)(H,53,64)(H,54,62)(H,55,65)(H,57,58)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009186
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C42H59N7O13S2/c1-23(2)18-30(39(58)45-29(15-17-64-4)38(57)49-33(42(61)62)22-35(53)54)46-41(60)32(21-34(51)52)48-40(59)31(20-24-8-6-5-7-9-24)47-37(56)28(14-16-63-3)44-36(55)27(43)19-25-10-12-26(50)13-11-25/h5-13,23,27-33,50H,14-22,43H2,1-4H3,(H,44,55)(H,45,58)(H,46,60)(H,47,56)(H,48,59)(H,49,57)(H,51,52)(H,53,54)(H,61,62)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]DSLET (Opioid receptor delta 1-selective radioligand)


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009189
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[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(N)=O
Show InChI InChI=1S/C30H40N6O8/c1-16(2)25(26(32)40)36-30(44)23(15-24(38)39)35-29(43)22(14-18-7-5-4-6-8-18)34-27(41)17(3)33-28(42)21(31)13-19-9-11-20(37)12-10-19/h4-12,16-17,21-23,25,37H,13-15,31H2,1-3H3,(H2,32,40)(H,33,42)(H,34,41)(H,35,43)(H,36,44)(H,38,39)/t17-,21-,22-,23-,25-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009187
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C40H58N8O10S2/c1-23(2)18-31(40(58)46-29(15-17-60-4)38(56)47-30(35(42)53)21-34(51)52)44-33(50)22-43-37(55)32(20-24-8-6-5-7-9-24)48-39(57)28(14-16-59-3)45-36(54)27(41)19-25-10-12-26(49)13-11-25/h5-13,23,27-32,49H,14-22,41H2,1-4H3,(H2,42,53)(H,43,55)(H,44,50)(H,45,54)(H,46,58)(H,47,56)(H,48,57)(H,51,52)/t27-,28-,29-,30-,31-,32-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in guinea pig ileum (GPI) assay mediated by Opioid receptor mu 1


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009190
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C47H64N8O11S2/c1-27(2)22-37(45(64)51-35(19-21-68-4)43(62)52-36(41(49)60)26-40(58)59)53-46(65)39(25-30-12-16-32(57)17-13-30)55-47(66)38(24-28-8-6-5-7-9-28)54-44(63)34(18-20-67-3)50-42(61)33(48)23-29-10-14-31(56)15-11-29/h5-17,27,33-39,56-57H,18-26,48H2,1-4H3,(H2,49,60)(H,50,61)(H,51,64)(H,52,62)(H,53,65)(H,54,63)(H,55,66)(H,58,59)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009191
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C25H31N5O7/c1-14(28-24(36)18(26)11-16-7-9-17(31)10-8-16)23(35)30-20(12-15-5-3-2-4-6-15)25(37)29-19(22(27)34)13-21(32)33/h2-10,14,18-20,31H,11-13,26H2,1H3,(H2,27,34)(H,28,36)(H,29,37)(H,30,35)(H,32,33)/t14-,18-,19-,20-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009184
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C36H50N8O10/c1-5-25(35(53)42-26(31(38)49)17-29(47)48)41-36(54)30(19(2)3)44-28(46)18-39-34(52)27(16-21-9-7-6-8-10-21)43-32(50)20(4)40-33(51)24(37)15-22-11-13-23(45)14-12-22/h6-14,19-20,24-27,30,45H,5,15-18,37H2,1-4H3,(H2,38,49)(H,39,52)(H,40,51)(H,41,54)(H,42,53)(H,43,50)(H,44,46)(H,47,48)/t20-,24-,25-,26-,27-,30-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in guinea pig ileum (GPI) assay mediated by Opioid receptor mu 1


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009184
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C36H50N8O10/c1-5-25(35(53)42-26(31(38)49)17-29(47)48)41-36(54)30(19(2)3)44-28(46)18-39-34(52)27(16-21-9-7-6-8-10-21)43-32(50)20(4)40-33(51)24(37)15-22-11-13-23(45)14-12-22/h6-14,19-20,24-27,30,45H,5,15-18,37H2,1-4H3,(H2,38,49)(H,39,52)(H,40,51)(H,41,54)(H,42,53)(H,43,50)(H,44,46)(H,47,48)/t20-,24-,25-,26-,27-,30-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity in rat brain membrane preparations by the displacement of [3H]- DAGO


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009190
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C47H64N8O11S2/c1-27(2)22-37(45(64)51-35(19-21-68-4)43(62)52-36(41(49)60)26-40(58)59)53-46(65)39(25-30-12-16-32(57)17-13-30)55-47(66)38(24-28-8-6-5-7-9-28)54-44(63)34(18-20-67-3)50-42(61)33(48)23-29-10-14-31(56)15-11-29/h5-17,27,33-39,56-57H,18-26,48H2,1-4H3,(H2,49,60)(H,50,61)(H,51,64)(H,52,62)(H,53,65)(H,54,63)(H,55,66)(H,58,59)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009191
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C25H31N5O7/c1-14(28-24(36)18(26)11-16-7-9-17(31)10-8-16)23(35)30-20(12-15-5-3-2-4-6-15)25(37)29-19(22(27)34)13-21(32)33/h2-10,14,18-20,31H,11-13,26H2,1H3,(H2,27,34)(H,28,36)(H,29,37)(H,30,35)(H,32,33)/t14-,18-,19-,20-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009187
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C40H58N8O10S2/c1-23(2)18-31(40(58)46-29(15-17-60-4)38(56)47-30(35(42)53)21-34(51)52)44-33(50)22-43-37(55)32(20-24-8-6-5-7-9-24)48-39(57)28(14-16-59-3)45-36(54)27(41)19-25-10-12-26(49)13-11-25/h5-13,23,27-32,49H,14-22,41H2,1-4H3,(H2,42,53)(H,43,55)(H,44,50)(H,45,54)(H,46,58)(H,47,56)(H,48,57)(H,51,52)/t27-,28-,29-,30-,31-,32-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity in rat brain membrane preparations by the displacement of [3H]- DAGO


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009185
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
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-/m0/s1
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n/an/a 184n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(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
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n/an/a 205n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009189
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[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(N)=O
Show InChI InChI=1S/C30H40N6O8/c1-16(2)25(26(32)40)36-30(44)23(15-24(38)39)35-29(43)22(14-18-7-5-4-6-8-18)34-27(41)17(3)33-28(42)21(31)13-19-9-11-20(37)12-10-19/h4-12,16-17,21-23,25,37H,13-15,31H2,1-3H3,(H2,32,40)(H,33,42)(H,34,41)(H,35,43)(H,36,44)(H,38,39)/t17-,21-,22-,23-,25-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009182
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C44H63N11O9S2/c1-25(2)18-34(42(62)51-32(15-17-66-4)40(60)52-33(38(47)58)22-37(46)57)53-44(64)36(21-28-23-48-24-49-28)55-43(63)35(20-26-8-6-5-7-9-26)54-41(61)31(14-16-65-3)50-39(59)30(45)19-27-10-12-29(56)13-11-27/h5-13,23-25,30-36,56H,14-22,45H2,1-4H3,(H2,46,57)(H2,47,58)(H,48,49)(H,50,59)(H,51,62)(H,52,60)(H,53,64)(H,54,61)(H,55,63)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 245n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009183
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=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/C38H55N9O9/c1-20(2)31(37(55)42-19-30(41)50)47-38(56)32(21(3)4)46-35(53)27(15-16-29(40)49)44-36(54)28(18-23-9-7-6-8-10-23)45-33(51)22(5)43-34(52)26(39)17-24-11-13-25(48)14-12-24/h6-14,20-22,26-28,31-32,48H,15-19,39H2,1-5H3,(H2,40,49)(H2,41,50)(H,42,55)(H,43,52)(H,44,54)(H,45,51)(H,46,53)(H,47,56)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity in rat brain membrane preparations by the displacement of [3H]- DAGO


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009183
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=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/C38H55N9O9/c1-20(2)31(37(55)42-19-30(41)50)47-38(56)32(21(3)4)46-35(53)27(15-16-29(40)49)44-36(54)28(18-23-9-7-6-8-10-23)45-33(51)22(5)43-34(52)26(39)17-24-11-13-25(48)14-12-24/h6-14,20-22,26-28,31-32,48H,15-19,39H2,1-5H3,(H2,40,49)(H2,41,50)(H,42,55)(H,43,52)(H,44,54)(H,45,51)(H,46,53)(H,47,56)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in guinea pig ileum (GPI) assay mediated by Opioid receptor mu 1


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50059841
PNG
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
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n/an/a 294n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009198
PNG
(2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl...)
Show SMILES CC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C44H64N10O8S2/c1-6-32(38(46)56)49-40(58)34(17-19-64-5)51-42(60)35(20-26(2)3)52-44(62)37(23-29-24-47-25-48-29)54-43(61)36(22-27-10-8-7-9-11-27)53-41(59)33(16-18-63-4)50-39(57)31(45)21-28-12-14-30(55)15-13-28/h7-15,24-26,31-37,55H,6,16-23,45H2,1-5H3,(H2,46,56)(H,47,48)(H,49,58)(H,50,57)(H,51,60)(H,52,62)(H,53,59)(H,54,61)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50059841
PNG
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
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n/an/a 320n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009192
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
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(N)=O
Show InChI InChI=1S/C35H49N7O9/c1-18(2)28(30(37)46)41-35(51)29(19(3)4)42-34(50)26(17-27(44)45)40-33(49)25(16-21-9-7-6-8-10-21)39-31(47)20(5)38-32(48)24(36)15-22-11-13-23(43)14-12-22/h6-14,18-20,24-26,28-29,43H,15-17,36H2,1-5H3,(H2,37,46)(H,38,48)(H,39,47)(H,40,49)(H,41,51)(H,42,50)(H,44,45)/t20-,24-,25-,26-,28-,29-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009181
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-33(41(60)50-32(15-17-66-4)40(59)54-36(44(63)64)22-37(46)56)51-43(62)35(21-28-23-47-24-48-28)53-42(61)34(20-26-8-6-5-7-9-26)52-39(58)31(14-16-65-3)49-38(57)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,56)(H,47,48)(H,49,57)(H,50,60)(H,51,62)(H,52,58)(H,53,61)(H,54,59)(H,63,64)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009198
PNG
(2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl...)
Show SMILES CC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C44H64N10O8S2/c1-6-32(38(46)56)49-40(58)34(17-19-64-5)51-42(60)35(20-26(2)3)52-44(62)37(23-29-24-47-25-48-29)54-43(61)36(22-27-10-8-7-9-11-27)53-41(59)33(16-18-63-4)50-39(57)31(45)21-28-12-14-30(55)15-13-28/h7-15,24-26,31-37,55H,6,16-23,45H2,1-5H3,(H2,46,56)(H,47,48)(H,49,58)(H,50,57)(H,51,60)(H,52,62)(H,53,59)(H,54,61)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009182
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C44H63N11O9S2/c1-25(2)18-34(42(62)51-32(15-17-66-4)40(60)52-33(38(47)58)22-37(46)57)53-44(64)36(21-28-23-48-24-49-28)55-43(63)35(20-26-8-6-5-7-9-26)54-41(61)31(14-16-65-3)50-39(59)30(45)19-27-10-12-29(56)13-11-27/h5-13,23-25,30-36,56H,14-22,45H2,1-4H3,(H2,46,57)(H2,47,58)(H,48,49)(H,50,59)(H,51,62)(H,52,60)(H,53,64)(H,54,61)(H,55,63)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009186
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C42H59N7O13S2/c1-23(2)18-30(39(58)45-29(15-17-64-4)38(57)49-33(42(61)62)22-35(53)54)46-41(60)32(21-34(51)52)48-40(59)31(20-24-8-6-5-7-9-24)47-37(56)28(14-16-63-3)44-36(55)27(43)19-25-10-12-26(50)13-11-25/h5-13,23,27-33,50H,14-22,43H2,1-4H3,(H,44,55)(H,45,58)(H,46,60)(H,47,56)(H,48,59)(H,49,57)(H,51,52)(H,53,54)(H,61,62)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in mouse vas deferens (MVD) assay mediated by Opioid receptor delta 1


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009195
PNG
(3-(2-{2-[6-Amino-2-(2-{2-[2-amino-3-(4-hydroxy-phe...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H67N9O10S2/c1-26(2)22-35(43(62)50-33(18-21-65-4)41(60)51-34(38(47)57)25-37(55)56)52-40(59)31(12-8-9-19-45)49-44(63)36(24-27-10-6-5-7-11-27)53-42(61)32(17-20-64-3)48-39(58)30(46)23-28-13-15-29(54)16-14-28/h5-7,10-11,13-16,26,30-36,54H,8-9,12,17-25,45-46H2,1-4H3,(H2,47,57)(H,48,58)(H,49,63)(H,50,62)(H,51,60)(H,52,59)(H,53,61)(H,55,56)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]- DPDPE (Opioid receptor delta 1-selective radioligand...


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009142
PNG
((S)-3-((S)-2-{(S)-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-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009196
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C47H64N8O10S2/c1-28(2)23-37(45(63)51-35(20-22-67-4)43(61)52-36(41(49)59)27-40(57)58)53-46(64)39(26-30-13-9-6-10-14-30)55-47(65)38(25-29-11-7-5-8-12-29)54-44(62)34(19-21-66-3)50-42(60)33(48)24-31-15-17-32(56)18-16-31/h5-18,28,33-39,56H,19-27,48H2,1-4H3,(H2,49,59)(H,50,60)(H,51,63)(H,52,61)(H,53,64)(H,54,62)(H,55,65)(H,57,58)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009195
PNG
(3-(2-{2-[6-Amino-2-(2-{2-[2-amino-3-(4-hydroxy-phe...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H67N9O10S2/c1-26(2)22-35(43(62)50-33(18-21-65-4)41(60)51-34(38(47)57)25-37(55)56)52-40(59)31(12-8-9-19-45)49-44(63)36(24-27-10-6-5-7-11-27)53-42(61)32(17-20-64-3)48-39(58)30(46)23-28-13-15-29(54)16-14-28/h5-7,10-11,13-16,26,30-36,54H,8-9,12,17-25,45-46H2,1-4H3,(H2,47,57)(H,48,58)(H,49,63)(H,50,62)(H,51,60)(H,52,59)(H,53,61)(H,55,56)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 550n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]DSLET (Opioid receptor delta 1-selective radioligand)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009189
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[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(N)=O
Show InChI InChI=1S/C30H40N6O8/c1-16(2)25(26(32)40)36-30(44)23(15-24(38)39)35-29(43)22(14-18-7-5-4-6-8-18)34-27(41)17(3)33-28(42)21(31)13-19-9-11-20(37)12-10-19/h4-12,16-17,21-23,25,37H,13-15,31H2,1-3H3,(H2,32,40)(H,33,42)(H,34,41)(H,35,43)(H,36,44)(H,38,39)/t17-,21-,22-,23-,25-/m0/s1
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n/an/a 640n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009189
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[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(N)=O
Show InChI InChI=1S/C30H40N6O8/c1-16(2)25(26(32)40)36-30(44)23(15-24(38)39)35-29(43)22(14-18-7-5-4-6-8-18)34-27(41)17(3)33-28(42)21(31)13-19-9-11-20(37)12-10-19/h4-12,16-17,21-23,25,37H,13-15,31H2,1-3H3,(H2,32,40)(H,33,42)(H,34,41)(H,35,43)(H,36,44)(H,38,39)/t17-,21-,22-,23-,25-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009181
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-33(41(60)50-32(15-17-66-4)40(59)54-36(44(63)64)22-37(46)56)51-43(62)35(21-28-23-47-24-48-28)53-42(61)34(20-26-8-6-5-7-9-26)52-39(58)31(14-16-65-3)49-38(57)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,56)(H,47,48)(H,49,57)(H,50,60)(H,51,62)(H,52,58)(H,53,61)(H,54,59)(H,63,64)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009192
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
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(N)=O
Show InChI InChI=1S/C35H49N7O9/c1-18(2)28(30(37)46)41-35(51)29(19(3)4)42-34(50)26(17-27(44)45)40-33(49)25(16-21-9-7-6-8-10-21)39-31(47)20(5)38-32(48)24(36)15-22-11-13-23(43)14-12-22/h6-14,18-20,24-26,28-29,43H,15-17,36H2,1-5H3,(H2,37,46)(H,38,48)(H,39,47)(H,40,49)(H,41,51)(H,42,50)(H,44,45)/t20-,24-,25-,26-,28-,29-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009142
PNG
((S)-3-((S)-2-{(S)-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-/m0/s1
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n/an/a 910n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009191
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C25H31N5O7/c1-14(28-24(36)18(26)11-16-7-9-17(31)10-8-16)23(35)30-20(12-15-5-3-2-4-6-15)25(37)29-19(22(27)34)13-21(32)33/h2-10,14,18-20,31H,11-13,26H2,1H3,(H2,27,34)(H,28,36)(H,29,37)(H,30,35)(H,32,33)/t14-,18-,19-,20-/m0/s1
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n/an/a 960n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009191
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C25H31N5O7/c1-14(28-24(36)18(26)11-16-7-9-17(31)10-8-16)23(35)30-20(12-15-5-3-2-4-6-15)25(37)29-19(22(27)34)13-21(32)33/h2-10,14,18-20,31H,11-13,26H2,1H3,(H2,27,34)(H,28,36)(H,29,37)(H,30,35)(H,32,33)/t14-,18-,19-,20-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009195
PNG
(3-(2-{2-[6-Amino-2-(2-{2-[2-amino-3-(4-hydroxy-phe...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H67N9O10S2/c1-26(2)22-35(43(62)50-33(18-21-65-4)41(60)51-34(38(47)57)25-37(55)56)52-40(59)31(12-8-9-19-45)49-44(63)36(24-27-10-6-5-7-11-27)53-42(61)32(17-20-64-3)48-39(58)30(46)23-28-13-15-29(54)16-14-28/h5-7,10-11,13-16,26,30-36,54H,8-9,12,17-25,45-46H2,1-4H3,(H2,47,57)(H,48,58)(H,49,63)(H,50,62)(H,51,60)(H,52,59)(H,53,61)(H,55,56)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in mouse vas deferens (MVD) assay mediated by Opioid receptor delta 1


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009180
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001683
PNG
(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
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity in rat brain membrane preparations by the displacement of [3H]- DAGO


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009194
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H61N9O11S2/c1-25(2)18-33(41(60)49-32(15-17-66-4)40(59)53-36(44(63)64)22-37(55)56)50-43(62)35(21-28-23-46-24-47-28)52-42(61)34(20-26-8-6-5-7-9-26)51-39(58)31(14-16-65-3)48-38(57)30(45)19-27-10-12-29(54)13-11-27/h5-13,23-25,30-36,54H,14-22,45H2,1-4H3,(H,46,47)(H,48,57)(H,49,60)(H,50,62)(H,51,58)(H,52,61)(H,53,59)(H,55,56)(H,63,64)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009180
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009193
PNG
((S)-4-((S)-2-{(S)-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(N)=O
Show InChI InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009193
PNG
((S)-4-((S)-2-{(S)-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(N)=O
Show InChI InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001683
PNG
(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
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in guinea pig ileum (GPI) assay mediated by Opioid receptor mu 1


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009194
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H61N9O11S2/c1-25(2)18-33(41(60)49-32(15-17-66-4)40(59)53-36(44(63)64)22-37(55)56)50-43(62)35(21-28-23-46-24-47-28)52-42(61)34(20-26-8-6-5-7-9-26)51-39(58)31(14-16-65-3)48-38(57)30(45)19-27-10-12-29(54)13-11-27/h5-13,23-25,30-36,54H,14-22,45H2,1-4H3,(H,46,47)(H,48,57)(H,49,60)(H,50,62)(H,51,58)(H,52,61)(H,53,59)(H,55,56)(H,63,64)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009195
PNG
(3-(2-{2-[6-Amino-2-(2-{2-[2-amino-3-(4-hydroxy-phe...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H67N9O10S2/c1-26(2)22-35(43(62)50-33(18-21-65-4)41(60)51-34(38(47)57)25-37(55)56)52-40(59)31(12-8-9-19-45)49-44(63)36(24-27-10-6-5-7-11-27)53-42(61)32(17-20-64-3)48-39(58)30(46)23-28-13-15-29(54)16-14-28/h5-7,10-11,13-16,26,30-36,54H,8-9,12,17-25,45-46H2,1-4H3,(H2,47,57)(H,48,58)(H,49,63)(H,50,62)(H,51,60)(H,52,59)(H,53,61)(H,55,56)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity in rat brain membrane preparations by the displacement of [3H]- DAGO


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009195
PNG
(3-(2-{2-[6-Amino-2-(2-{2-[2-amino-3-(4-hydroxy-phe...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H67N9O10S2/c1-26(2)22-35(43(62)50-33(18-21-65-4)41(60)51-34(38(47)57)25-37(55)56)52-40(59)31(12-8-9-19-45)49-44(63)36(24-27-10-6-5-7-11-27)53-42(61)32(17-20-64-3)48-39(58)30(46)23-28-13-15-29(54)16-14-28/h5-7,10-11,13-16,26,30-36,54H,8-9,12,17-25,45-46H2,1-4H3,(H2,47,57)(H,48,58)(H,49,63)(H,50,62)(H,51,60)(H,52,59)(H,53,61)(H,55,56)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in guinea pig ileum (GPI) assay mediated by Opioid receptor mu 1


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009185
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
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-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009185
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
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-/m0/s1
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n/an/a 1.45E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009186
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C42H59N7O13S2/c1-23(2)18-30(39(58)45-29(15-17-64-4)38(57)49-33(42(61)62)22-35(53)54)46-41(60)32(21-34(51)52)48-40(59)31(20-24-8-6-5-7-9-24)47-37(56)28(14-16-63-3)44-36(55)27(43)19-25-10-12-26(50)13-11-25/h5-13,23,27-33,50H,14-22,43H2,1-4H3,(H,44,55)(H,45,58)(H,46,60)(H,47,56)(H,48,59)(H,49,57)(H,51,52)(H,53,54)(H,61,62)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in guinea pig ileum (GPI) assay mediated by Opioid receptor mu 1


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009186
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C42H59N7O13S2/c1-23(2)18-30(39(58)45-29(15-17-64-4)38(57)49-33(42(61)62)22-35(53)54)46-41(60)32(21-34(51)52)48-40(59)31(20-24-8-6-5-7-9-24)47-37(56)28(14-16-63-3)44-36(55)27(43)19-25-10-12-26(50)13-11-25/h5-13,23,27-33,50H,14-22,43H2,1-4H3,(H,44,55)(H,45,58)(H,46,60)(H,47,56)(H,48,59)(H,49,57)(H,51,52)(H,53,54)(H,61,62)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity in rat brain membrane preparations by the displacement of [3H]- DAGO


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%