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Compile Data Set for Download or QSAR

Found 16836 hits Enz. Inhib. hit(s) with Target = 'Opioid receptor'   
Target
(Institution)
LigandTarget
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50190307
PNG
(Ac-RYYRIK-GGG-K-(NH2)-YAFGYPS-GG | CHEMBL414736)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C100H144N28O25/c1-5-56(2)85(127-93(148)72(21-14-42-110-100(106)107)121-94(149)74(46-61-25-33-65(132)34-26-61)125-95(150)75(47-62-27-35-66(133)36-28-62)124-92(147)71(118-58(4)130)20-13-41-109-99(104)105)97(152)122-70(19-9-11-39-101)89(144)114-51-81(137)112-50-80(136)113-53-83(139)119-69(86(103)141)18-10-12-40-108-79(135)49-111-82(138)52-115-91(146)77(55-129)126-96(151)78-22-15-43-128(78)98(153)76(48-63-29-37-67(134)38-30-63)120-84(140)54-116-90(145)73(45-59-16-7-6-8-17-59)123-87(142)57(3)117-88(143)68(102)44-60-23-31-64(131)32-24-60/h6-8,16-17,23-38,56-57,68-78,85,129,131-134H,5,9-15,18-22,39-55,101-102H2,1-4H3,(H2,103,141)(H,108,135)(H,111,138)(H,112,137)(H,113,136)(H,114,144)(H,115,146)(H,116,145)(H,117,143)(H,118,130)(H,119,139)(H,120,140)(H,121,149)(H,122,152)(H,123,142)(H,124,147)(H,125,150)(H,126,151)(H,127,148)(H4,104,105,109)(H4,106,107,110)/t56-,57-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,85-/m0/s1
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n/an/a 0.00236n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate


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


(Rattus norvegicus (rat))
BDBM50450653
PNG
(CHEMBL2115493)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCCC[C@@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C33H45N5O8/c1-20(2)16-26(31(44)45)37-30(43)25(18-21-8-4-3-5-9-21)36-28(41)19-35-32(46)33(15-7-6-10-27(33)40)38-29(42)24(34)17-22-11-13-23(39)14-12-22/h3-5,8-9,11-14,20,24-27,39-40H,6-7,10,15-19,34H2,1-2H3,(H,35,46)(H,36,41)(H,37,43)(H,38,42)(H,44,45)/t24-,25-,26-,27+,33-/m1/s1
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n/an/a 0.00500n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against forskolin-stimulated cAMP production in chinese hamster ovary cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 8: 2027-32 (1999)

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


(Rattus norvegicus (rat))
BDBM50232770
PNG
((S)-2-Amino-N-{[(S)-1-((R)-1-carbamoyl-2-naphthale...)
Show SMILES CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C36H41N5O5/c1-22-15-28(42)16-23(2)29(22)20-30(37)36(46)41(3)21-33(43)39-32(18-24-9-5-4-6-10-24)35(45)40-31(34(38)44)19-25-13-14-26-11-7-8-12-27(26)17-25/h4-17,30-32,42H,18-21,37H2,1-3H3,(H2,38,44)(H,39,43)(H,40,45)/t30-,31+,32-/m0/s1
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n/an/a 0.0100n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor in rat brain membranes


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


(Rattus norvegicus (rat))
BDBM50450656
PNG
(CHEMBL2114469)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCC[C@@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C32H43N5O8/c1-19(2)15-25(30(43)44)36-29(42)24(17-20-7-4-3-5-8-20)35-27(40)18-34-31(45)32(14-6-9-26(32)39)37-28(41)23(33)16-21-10-12-22(38)13-11-21/h3-5,7-8,10-13,19,23-26,38-39H,6,9,14-18,33H2,1-2H3,(H,34,45)(H,35,40)(H,36,42)(H,37,41)(H,43,44)/t23-,24-,25-,26+,32-/m1/s1
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n/an/a 0.0100n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against forskolin-stimulated cAMP production in chinese hamster ovary cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 8: 2027-32 (1999)

More data for this
Ligand-Target Pair
delta/kappa opioid receptor


(Rattus norvegicus (rat))
BDBM50450653
PNG
(CHEMBL2115493)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCCC[C@@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C33H45N5O8/c1-20(2)16-26(31(44)45)37-30(43)25(18-21-8-4-3-5-9-21)36-28(41)19-35-32(46)33(15-7-6-10-27(33)40)38-29(42)24(34)17-22-11-13-23(39)14-12-22/h3-5,8-9,11-14,20,24-27,39-40H,6-7,10,15-19,34H2,1-2H3,(H,35,46)(H,36,41)(H,37,43)(H,38,42)(H,44,45)/t24-,25-,26-,27+,33-/m1/s1
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n/an/a 0.0100n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat Opioid receptor delta 1 expressed in CHO cells determined by competitive inhibition of 1 nM [3H]DPDPE.


Bioorg Med Chem Lett 8: 2027-32 (1999)

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


(Homo sapiens (human))
BDBM50195666
PNG
(CHEMBL443311 | N-cyclopropylmethyl-14beta-[3'-(4'-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCc1ccc(Cl)cc1
Show InChI InChI=1S/C29H33ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h5-10,19,24,27,31,33H,1-4,11-17H2/t24-,27+,28+,29-/m1/s1
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n/an/a 0.0200n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Activity at human recombinant delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


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


(Rattus norvegicus (rat))
BDBM50037079
PNG
(CHEMBL3355781)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1C[C@H]2CC[C@@H](CC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C42H53N7O7/c1-24-17-30(50)18-25(2)31(24)22-32(43)39(53)47-34-21-28-13-15-29(16-14-28)45-37(51)23-33(38(44)52)46-40(54)35(19-26-9-5-3-6-10-26)48-42(56)36(49-41(34)55)20-27-11-7-4-8-12-27/h3-12,17-18,28-29,32-36,50H,13-16,19-23,43H2,1-2H3,(H2,44,52)(H,45,51)(H,46,54)(H,47,53)(H,48,56)(H,49,55)/t28-,29-,32-,33-,34+,35-,36-/s2
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n/an/a 0.0220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes by liquid scintillation counting method


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


(Homo sapiens (human))
BDBM50195673
PNG
(CHEMBL267027 | N-cyclopropylmethyl-14beta-[3'-(4'-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCc1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-4,6-9,18,23,27,33H,1-2,5,10-16H2,(H,31,35)/t23-,27+,28+,29-/m1/s1
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n/an/a 0.0300n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Activity at human recombinant delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


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


(Homo sapiens (human))
BDBM50103533
PNG
(CHEMBL3343947)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C47H76N14O9/c1-5-28(4)39(45(70)57-33(40(49)65)10-6-7-21-48)61-42(67)35(12-9-23-55-47(52)53)58-43(68)36(25-29-13-17-31(62)18-14-29)60-44(69)37(26-30-15-19-32(63)20-16-30)59-41(66)34(11-8-22-54-46(50)51)56-38(64)24-27(2)3/h13-20,27-28,33-37,39,62-63H,5-12,21-26,48H2,1-4H3,(H2,49,65)(H,56,64)(H,57,70)(H,58,68)(H,59,66)(H,60,69)(H,61,67)(H4,50,51,54)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,39-/s2
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n/an/a 0.0330n/an/an/an/an/an/a



Laboratory of Structure-Function Biochemistry, Department of Chemistry, Faculty and Graduate School of Sciences, Risk Science Research Center, Kyushu University, Fukuoka 812-8581, Japan.

Curated by ChEMBL


Assay Description
Displacement of [3H]]nociceptin from human ORL1 receptor high affinity binding site expressed in African green monkey COS7 cells after 90 mins by top...


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


(Rattus norvegicus (rat))
BDBM50278897
PNG
((R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H43N5O5/c1-22-16-27(41)17-23(2)28(22)20-29(36)35(45)40-15-9-14-26(21-40)33(43)39-31(19-25-12-7-4-8-13-25)34(44)38-30(32(37)42)18-24-10-5-3-6-11-24/h3-8,10-13,16-17,26,29-31,41H,9,14-15,18-21,36H2,1-2H3,(H2,37,42)(H,38,44)(H,39,43)/t26-,29+,30+,31+/m1/s1
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n/an/a 0.0350n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


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


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


(Rattus norvegicus (rat))
BDBM50278895
PNG
((R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H39N5O5/c34-27(18-24-13-15-26(39)16-14-24)33(43)38-17-7-12-25(21-38)31(41)37-29(20-23-10-5-2-6-11-23)32(42)36-28(30(35)40)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,39H,7,12,17-21,34H2,(H2,35,40)(H,36,42)(H,37,41)/t25-,27+,28+,29+/m1/s1
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Medical University of Lodz

Curated by ChEMBL


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


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


(Rattus norvegicus (rat))
BDBM50450656
PNG
(CHEMBL2114469)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCC[C@@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C32H43N5O8/c1-19(2)15-25(30(43)44)36-29(42)24(17-20-7-4-3-5-8-20)35-27(40)18-34-31(45)32(14-6-9-26(32)39)37-28(41)23(33)16-21-10-12-22(38)13-11-21/h3-5,7-8,10-13,19,23-26,38-39H,6,9,14-18,33H2,1-2H3,(H,34,45)(H,35,40)(H,36,42)(H,37,41)(H,43,44)/t23-,24-,25-,26+,32-/m1/s1
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n/an/a 0.0400n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat Opioid receptor delta 1 expressed in CHO cells determined by competitive inhibition of 1 nM [3H]DPDPE.


Bioorg Med Chem Lett 8: 2027-32 (1999)

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


(Rattus norvegicus (rat))
BDBM50037080
PNG
(CHEMBL3355780)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1C[C@H]2CC[C@H](CC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C42H53N7O7/c1-24-17-30(50)18-25(2)31(24)22-32(43)39(53)47-34-21-28-13-15-29(16-14-28)45-37(51)23-33(38(44)52)46-40(54)35(19-26-9-5-3-6-10-26)48-42(56)36(49-41(34)55)20-27-11-7-4-8-12-27/h3-12,17-18,28-29,32-36,50H,13-16,19-23,43H2,1-2H3,(H2,44,52)(H,45,51)(H,46,54)(H,47,53)(H,48,56)(H,49,55)/t28-,29+,32-,33-,34+,35-,36-/s2
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes by liquid scintillation counting method


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


(Rattus norvegicus (rat))
BDBM50001852
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-{2-[(3...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1CCCCC1CNCCCc1ccccc1
Show InChI InChI=1S/C26H37N3O2/c1-19-15-23(30)16-20(2)24(19)17-25(27)26(31)29-14-7-6-12-22(29)18-28-13-8-11-21-9-4-3-5-10-21/h3-5,9-10,15-16,22,25,28,30H,6-8,11-14,17-18,27H2,1-2H3
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n/an/a 0.0450n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor mu expressed in homogenates of rat brain.


J Med Chem 35: 223-33 (1992)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50190307
PNG
(Ac-RYYRIK-GGG-K-(NH2)-YAFGYPS-GG | CHEMBL414736)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C100H144N28O25/c1-5-56(2)85(127-93(148)72(21-14-42-110-100(106)107)121-94(149)74(46-61-25-33-65(132)34-26-61)125-95(150)75(47-62-27-35-66(133)36-28-62)124-92(147)71(118-58(4)130)20-13-41-109-99(104)105)97(152)122-70(19-9-11-39-101)89(144)114-51-81(137)112-50-80(136)113-53-83(139)119-69(86(103)141)18-10-12-40-108-79(135)49-111-82(138)52-115-91(146)77(55-129)126-96(151)78-22-15-43-128(78)98(153)76(48-63-29-37-67(134)38-30-63)120-84(140)54-116-90(145)73(45-59-16-7-6-8-17-59)123-87(142)57(3)117-88(143)68(102)44-60-23-31-64(131)32-24-60/h6-8,16-17,23-38,56-57,68-78,85,129,131-134H,5,9-15,18-22,39-55,101-102H2,1-4H3,(H2,103,141)(H,108,135)(H,111,138)(H,112,137)(H,113,136)(H,114,144)(H,115,146)(H,116,145)(H,117,143)(H,118,130)(H,119,139)(H,120,140)(H,121,149)(H,122,152)(H,123,142)(H,124,147)(H,125,150)(H,126,151)(H,127,148)(H4,104,105,109)(H4,106,107,110)/t56-,57-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,85-/m0/s1
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n/an/a 0.0464n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]NOC from human ORL1 receptor expressed in HEK293 cells


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


(Rattus norvegicus (rat))
BDBM50190308
PNG
(Ac-RYYRIK-GGG-K-(NH2)-YRFB-GGGGG | CHEMBL441930)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C85H130N28O19/c1-3-49(2)72(113-79(129)62(20-13-38-100-85(94)95)108-80(130)65(43-53-25-31-56(116)32-26-53)112-81(131)64(42-52-23-29-55(115)30-24-52)110-74(124)57(87)16-11-36-98-83(90)91)82(132)109-60(18-7-9-34-86)76(126)105-47-70(121)103-46-69(120)104-48-71(122)106-59(73(89)123)17-8-10-35-96-67(118)44-102-68(119)45-101-66(117)33-39-97-77(127)63(41-50-14-5-4-6-15-50)111-78(128)61(19-12-37-99-84(92)93)107-75(125)58(88)40-51-21-27-54(114)28-22-51/h4-6,14-15,21-32,49,57-65,72,114-116H,3,7-13,16-20,33-48,86-88H2,1-2H3,(H2,89,123)(H,96,118)(H,97,127)(H,101,117)(H,102,119)(H,103,121)(H,104,120)(H,105,126)(H,106,122)(H,107,125)(H,108,130)(H,109,132)(H,110,124)(H,111,128)(H,112,131)(H,113,129)(H4,90,91,98)(H4,92,93,99)(H4,94,95,100)/t49-,57-,58-,59-,60-,61+,62-,63-,64-,65-,72-/m0/s1
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n/an/a 0.0477n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate


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


(Homo sapiens (human))
BDBM50103534
PNG
(CHEMBL3343949)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C46H74N14O9/c1-5-27(4)37(44(69)55-32(38(48)63)10-6-7-21-47)60-41(66)34(12-9-23-54-46(51)52)57-42(67)35(24-28-13-17-30(61)18-14-28)59-43(68)36(25-29-15-19-31(62)20-16-29)58-40(65)33(56-39(64)26(2)3)11-8-22-53-45(49)50/h13-20,26-27,32-37,61-62H,5-12,21-25,47H2,1-4H3,(H2,48,63)(H,55,69)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,66)(H4,49,50,53)(H4,51,52,54)/t27-,32-,33-,34-,35-,36-,37-/s2
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n/an/a 0.0590n/an/an/an/an/an/a



Laboratory of Structure-Function Biochemistry, Department of Chemistry, Faculty and Graduate School of Sciences, Risk Science Research Center, Kyushu University, Fukuoka 812-8581, Japan.

Curated by ChEMBL


Assay Description
Displacement of [3H]]nociceptin from human ORL1 receptor high affinity binding site expressed in African green monkey COS7 cells after 90 mins by top...


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


(Homo sapiens (human))
BDBM50362312
PNG
(CHEMBL1939740)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1cccc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C32H39N5O2/c1-3-36(4-2)32(39)26-15-11-24(12-16-26)30(27-8-7-10-28(22-27)34-31(38)25-13-14-25)37-20-18-35(19-21-37)23-29-9-5-6-17-33-29/h5-12,15-17,22,25,30H,3-4,13-14,18-21,23H2,1-2H3,(H,34,38)/t30-/m1/s1
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n/an/a 0.0680n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus)
BDBM50035145
PNG
(1'-(3-cyclohexyloxypropyl)-3H-spiro[2-benzofuran-1...)
Show SMILES C(COC1CCCCC1)CN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C21H31NO2/c1-2-8-19(9-3-1)23-16-6-13-22-14-11-21(12-15-22)20-10-5-4-7-18(20)17-24-21/h4-5,7,10,19H,1-3,6,8-9,11-17H2
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n/an/a 0.0700n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus)
BDBM50035141
PNG
(1'-(cyclohexylbutyl)-3H-spiro[2-benzofuran-1,4'-pi...)
Show SMILES C(CCN1CCC2(CC1)OCc1ccccc21)CC1CCCCC1
Show InChI InChI=1S/C22H33NO/c1-2-8-19(9-3-1)10-6-7-15-23-16-13-22(14-17-23)21-12-5-4-11-20(21)18-24-22/h4-5,11-12,19H,1-3,6-10,13-18H2
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n/an/a 0.0700n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
delta/kappa opioid receptor


(Rattus norvegicus (rat))
BDBM50071201
PNG
((R)-2-[(R)-2-(2-{(R)-2-[(R)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@](C)(CO)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C30H41N5O8/c1-18(2)13-24(28(41)42)34-27(40)23(15-19-7-5-4-6-8-19)33-25(38)16-32-29(43)30(3,17-36)35-26(39)22(31)14-20-9-11-21(37)12-10-20/h4-12,18,22-24,36-37H,13-17,31H2,1-3H3,(H,32,43)(H,33,38)(H,34,40)(H,35,39)(H,41,42)/t22-,23-,24-,30-/m1/s1
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n/an/a 0.0710n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against forskolin-stimulated cAMP production in chinese hamster ovary cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 8: 2027-32 (1999)

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


(Homo sapiens (human))
BDBM50362304
PNG
(CHEMBL1939746)
Show SMILES CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2cscn2)CC1)c1ccc(cc1)C(=O)N(CC)CC
Show InChI InChI=1S/C29H37N5O3S/c1-4-33(5-2)28(35)23-12-10-22(11-13-23)27(24-8-7-9-25(18-24)31-29(36)37-6-3)34-16-14-32(15-17-34)19-26-20-38-21-30-26/h7-13,18,20-21,27H,4-6,14-17,19H2,1-3H3,(H,31,36)/t27-/m1/s1
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n/an/a 0.0710n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells


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


(Homo sapiens (human))
BDBM50278436
PNG
((1R,13S,14R)-24-(cyclopropylmethyl)-13,20-dihydrox...)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1O
Show InChI InChI=1S/C27H29N3O3/c28-25(32)18-8-7-16-11-22-27(33)12-19-17-3-1-2-4-20(17)29-21(19)13-26(27,23(16)24(18)31)9-10-30(22)14-15-5-6-15/h1-4,7-8,15,22,29,31,33H,5-6,9-14H2,(H2,28,32)/t22-,26-,27-/m1/s1
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n/an/a 0.0800n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human delta opioid receptor expressed in CHO cells assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding


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


(Homo sapiens (human))
BDBM50190308
PNG
(Ac-RYYRIK-GGG-K-(NH2)-YRFB-GGGGG | CHEMBL441930)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C85H130N28O19/c1-3-49(2)72(113-79(129)62(20-13-38-100-85(94)95)108-80(130)65(43-53-25-31-56(116)32-26-53)112-81(131)64(42-52-23-29-55(115)30-24-52)110-74(124)57(87)16-11-36-98-83(90)91)82(132)109-60(18-7-9-34-86)76(126)105-47-70(121)103-46-69(120)104-48-71(122)106-59(73(89)123)17-8-10-35-96-67(118)44-102-68(119)45-101-66(117)33-39-97-77(127)63(41-50-14-5-4-6-15-50)111-78(128)61(19-12-37-99-84(92)93)107-75(125)58(88)40-51-21-27-54(114)28-22-51/h4-6,14-15,21-32,49,57-65,72,114-116H,3,7-13,16-20,33-48,86-88H2,1-2H3,(H2,89,123)(H,96,118)(H,97,127)(H,101,117)(H,102,119)(H,103,121)(H,104,120)(H,105,126)(H,106,122)(H,107,125)(H,108,130)(H,109,132)(H,110,124)(H,111,128)(H,112,131)(H,113,129)(H4,90,91,98)(H4,92,93,99)(H4,94,95,100)/t49-,57-,58-,59-,60-,61+,62-,63-,64-,65-,72-/m0/s1
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n/an/a 0.0803n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]NOC from human ORL1 receptor expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50363338
PNG
(CHEMBL1946023)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)OC)c1
Show InChI InChI=1S/C32H36FN3O3/c1-4-36(5-2)31(37)26-13-11-24(12-14-26)30(27-7-6-8-29(21-27)34-32(38)39-3)25-17-19-35(20-18-25)22-23-9-15-28(33)16-10-23/h6-16,21H,4-5,17-20,22H2,1-3H3,(H,34,38)
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n/an/a 0.0820n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


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


(Homo sapiens (human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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n/an/a 0.0840n/an/an/an/an/an/a



Laboratory of Structure-Function Biochemistry, Department of Chemistry, Faculty and Graduate School of Sciences, Risk Science Research Center, Kyushu University, Fukuoka 812-8581, Japan.

Curated by ChEMBL


Assay Description
Binding affinity to human ORL1 receptor expressed in African green monkey COS7 cells assessed per mg protein after 90 mins by Scatchard plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus)
BDBM50054124
PNG
(1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCN3CCCC(C)(C)C3)CCCc12
Show InChI InChI=1S/C21H33NO/c1-21(2)13-7-15-22(16-21)14-6-9-17-8-4-11-19-18(17)10-5-12-20(19)23-3/h5,10,12,17H,4,6-9,11,13-16H2,1-3H3
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n/an/a 0.0890n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards sigma 1 receptor by displacing the radioligand [3H]-SKF- 10047 in whole rat brain membrane.


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


(Homo sapiens (human))
BDBM50362299
PNG
(CHEMBL1939751)
Show SMILES CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cscn2)CC1)c1cccc(NC(=O)OC)c1
Show InChI InChI=1S/C27H33N5O3S/c1-4-30(2)26(33)21-10-8-20(9-11-21)25(22-6-5-7-23(16-22)29-27(34)35-3)32-14-12-31(13-15-32)17-24-18-36-19-28-24/h5-11,16,18-19,25H,4,12-15,17H2,1-3H3,(H,29,34)/t25-/m1/s1
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n/an/a 0.0940n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells


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


(Rattus norvegicus (rat))
BDBM50453625
PNG
(CHEMBL2110229)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C24H33N3O3/c1-16-13-20(28)14-17(2)21(16)15-22(25)24(30)27(4)18(3)23(29)26-12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-14,18,22,28H,8,11-12,15,25H2,1-4H3,(H,26,29)/t18-,22+/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Searle

Curated by ChEMBL


Assay Description
Affinity for mu opioid receptor was measured by displacement of tritiated DAMGO from rat brain membranes


J Med Chem 37: 888-96 (1994)

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


(Rattus norvegicus (rat))
BDBM50318416
PNG
(7alpha-(1-Hydroxy-1-methyl-ethyl)-6-phenyl-6-demet...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]31C[C@H](C(C)(C)C)[C@@]4(C=C1)c1ccccc1)ccc5O
Show InChI InChI=1S/C29H33NO2/c1-26(2,3)21-17-27-12-13-28(21,19-8-6-5-7-9-19)25-29(27)14-15-30(4)22(27)16-18-10-11-20(31)24(32-25)23(18)29/h5-13,21-22,25,31H,14-17H2,1-4H3/t21-,22-,25+,27-,28-,29+/m1/s1
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n/an/a 0.110n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor from Wistar rat brain by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus)
BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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n/an/a 0.120n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)

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


(Homo sapiens (human))
BDBM50194233
PNG
((+)-N-{(1S,4R,5R,7S)-5-(3-hydroxyphenyl)-4-methyl-...)
Show SMILES C[C@H]1CN(C\C=C\c2ccccc2C)[C@@H]2C[C@H](C[C@]1(C2)c1cccc(O)c1)NC(=O)C(C)(C)c1ccccc1
Show InChI InChI=1S/C35H42N2O2/c1-25-12-8-9-13-27(25)14-11-19-37-24-26(2)35(29-17-10-18-32(38)20-29)22-30(21-31(37)23-35)36-33(39)34(3,4)28-15-6-5-7-16-28/h5-18,20,26,30-31,38H,19,21-24H2,1-4H3,(H,36,39)/b14-11+/t26-,30+,31+,35+/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned delta opioid receptor expressed in CHO cells assessed as inhibition of DPDPE-stimulated [35S]GTP-gamma-S bin...


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


(Homo sapiens (human))
BDBM50181395
PNG
(1-benzyl-N-[3-spiro(2,3-dihydro-1H-indene-1,4'-pip...)
Show SMILES O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C28H37N3O/c32-27(26-12-6-19-31(26)22-23-8-2-1-3-9-23)29-17-7-18-30-20-15-28(16-21-30)14-13-24-10-4-5-11-25(24)28/h1-5,8-11,26H,6-7,12-22H2,(H,29,32)/t26-/m1/s1
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n/an/a 0.120n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on nociceptin-induced [35S]GTPgammaS binding to ORL1 expressed in CHO cells


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


(Homo sapiens (human))
BDBM50106478
PNG
(CHEMBL443591 | FGGFTGARKCARKC)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC1=O)C(N)=O
Show InChI InChI=1S/C64H103N23O15S2/c1-35(78-49(90)32-77-62(102)51(37(3)88)87-60(100)45(29-39-18-8-5-9-19-39)80-50(91)31-75-48(89)30-76-55(95)40(67)28-38-16-6-4-7-17-38)53(93)81-43(22-14-26-73-63(69)70)56(96)84-42(21-11-13-25-66)59(99)86-47-34-104-103-33-46(52(68)92)85-58(98)41(20-10-12-24-65)83-57(97)44(23-15-27-74-64(71)72)82-54(94)36(2)79-61(47)101/h4-9,16-19,35-37,40-47,51,88H,10-15,20-34,65-67H2,1-3H3,(H2,68,92)(H,75,89)(H,76,95)(H,77,102)(H,78,90)(H,79,101)(H,80,91)(H,81,93)(H,82,94)(H,83,97)(H,84,96)(H,85,98)(H,86,99)(H,87,100)(H4,69,70,73)(H4,71,72,74)/t35-,36-,37+,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/s1
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n/an/a 0.122n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NC from human ORL1 receptor expressing HEK-293 cell membrane


J Med Chem 44: 4015-8 (2001)

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


(Rattus norvegicus (rat))
BDBM50036787
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(R)-1...)
Show SMILES C[C@@H](NC(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C23H31N3O3/c1-15-12-19(27)13-16(2)20(15)14-21(24)23(29)26-17(3)22(28)25-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-13,17,21,27H,7,10-11,14,24H2,1-3H3,(H,25,28)(H,26,29)/t17-,21?/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



Searle

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated against mu opioid receptor by the displacement of tritiated DAMGO from rat brain membranes


J Med Chem 37: 888-96 (1994)

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


(Rattus norvegicus (rat))
BDBM50036787
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(R)-1...)
Show SMILES C[C@@H](NC(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C23H31N3O3/c1-15-12-19(27)13-16(2)20(15)14-21(24)23(29)26-17(3)22(28)25-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-13,17,21,27H,7,10-11,14,24H2,1-3H3,(H,25,28)(H,26,29)/t17-,21?/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



Searle

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated against mu opioid receptor by the displacement of tritiated DAMGO from rat brain membranes


J Med Chem 37: 888-96 (1994)

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


(Homo sapiens (human))
BDBM50101613
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C28H32N4O3/c1-18-12-24(33)13-19(2)25(18)15-26(29)27(34)32-17-21-9-7-6-8-20(21)14-23(32)16-30-28(35)31-22-10-4-3-5-11-22/h3-13,23,26,33H,14-17,29H2,1-2H3,(H2,30,31,35)/t23-,26-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Rattus norvegicus (rat))
BDBM50001848
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-met...)
Show SMILES C[C@H](CNCCCc1ccccc1)NC(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H33N3O2/c1-16-12-20(27)13-17(2)21(16)14-22(24)23(28)26-18(3)15-25-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-13,18,22,25,27H,7,10-11,14-15,24H2,1-3H3,(H,26,28)/t18-,22?/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor mu expressed in homogenates of rat brain.


J Med Chem 35: 223-33 (1992)

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


(Rattus norvegicus (rat))
BDBM50318412
PNG
(7alpha-(1-Hydroxy-1-methyl-ethyl)-6-propoxy-6-deme...)
Show SMILES CCCO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45
Show InChI InChI=1S/C26H35NO3/c1-6-13-29-26-10-9-24(15-18(26)23(2,3)4)19-14-16-7-8-17(28)21-20(16)25(24,22(26)30-21)11-12-27(19)5/h7-10,18-19,22,28H,6,11-15H2,1-5H3/t18-,19-,22-,24-,25+,26-/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor from Wistar rat brain by liquid scintillation counting


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


(Rattus norvegicus (rat))
BDBM50001850
PNG
((S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C23H31N3O3/c1-15-12-19(27)13-16(2)20(15)14-21(24)23(29)26-17(3)22(28)25-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-13,17,21,27H,7,10-11,14,24H2,1-3H3,(H,25,28)(H,26,29)/t17-,21+/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor mu expressed in homogenates of rat brain.


J Med Chem 35: 223-33 (1992)

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


(Rattus norvegicus (rat))
BDBM50367123
PNG
(ETORPHINE | M99)
Show SMILES CCC[C@](C)(O)[C@H]1C[C@]23C=C[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O
Show InChI InChI=1S/C24H31NO4/c1-4-7-21(2,27)16-13-22-8-9-24(16,28)20-23(22)10-11-25(3)17(22)12-14-5-6-15(26)19(29-20)18(14)23/h5-6,8-9,16-17,20,26-28H,4,7,10-13H2,1-3H3/t16-,17-,20-,21+,22-,23+,24-/m1/s1
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n/an/a 0.140n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DAMGO binding to Rat brain Opioid receptor mu 1


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 0.140n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO radioligand binding to rat brain opioid receptor mu 1.


J Med Chem 38: 1523-37 (1995)

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


(Rattus norvegicus (rat))
BDBM50318415
PNG
(7alpha-(1-Hydroxy-1-methyl-ethyl)-6-(cyclopropylme...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]31C[C@H](C(C)(C)C)[C@]4(OCC2CC2)C=C1)ccc5O
Show InChI InChI=1S/C27H35NO3/c1-24(2,3)19-14-25-9-10-27(19,30-15-16-5-6-16)23-26(25)11-12-28(4)20(25)13-17-7-8-18(29)22(31-23)21(17)26/h7-10,16,19-20,23,29H,5-6,11-15H2,1-4H3/t19-,20-,23-,25-,26+,27-/m1/s1
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University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor from Wistar rat brain by liquid scintillation counting


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


(Homo sapiens (human))
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 0.140n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus)
BDBM50035133
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)SCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2S/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)

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


(Rattus norvegicus (rat))
BDBM50190306
PNG
(Ac-RYYRIK-K-(NH2)-YAFGYPS | CHEMBL404792)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C90H129N23O20/c1-5-51(2)75(112-83(128)67(21-14-42-100-90(96)97)106-84(129)69(46-56-25-33-60(117)34-26-56)110-85(130)70(47-57-27-35-61(118)36-28-57)109-81(126)65(103-53(4)115)20-13-41-99-89(94)95)87(132)107-66(19-9-11-39-91)82(127)105-64(76(93)121)18-10-12-40-98-80(125)72(50-114)111-86(131)73-22-15-43-113(73)88(133)71(48-58-29-37-62(119)38-30-58)104-74(120)49-101-79(124)68(45-54-16-7-6-8-17-54)108-77(122)52(3)102-78(123)63(92)44-55-23-31-59(116)32-24-55/h6-8,16-17,23-38,51-52,63-73,75,114,116-119H,5,9-15,18-22,39-50,91-92H2,1-4H3,(H2,93,121)(H,98,125)(H,101,124)(H,102,123)(H,103,115)(H,104,120)(H,105,127)(H,106,129)(H,107,132)(H,108,122)(H,109,126)(H,110,130)(H,111,131)(H,112,128)(H4,94,95,99)(H4,96,97,100)/t51-,52-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,75-/m0/s1
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n/an/a 0.150n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate


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


(Homo sapiens (human))
BDBM50194219
PNG
((+)-(2R)-N-[(1S,4R,5R,7S)-5-(3-hydroxyphenyl)-4-me...)
Show SMILES C[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@](C1)([C@@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C33H40N2O2/c1-24-23-35(18-10-13-26-11-5-3-6-12-26)30-20-29(34-32(37)25(2)27-14-7-4-8-15-27)21-33(24,22-30)28-16-9-17-31(36)19-28/h3-9,11-12,14-17,19,24-25,29-30,36H,10,13,18,20-23H2,1-2H3,(H,34,37)/t24-,25+,29+,30+,33+/m0/s1
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n/an/a 0.150n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned delta opioid receptor expressed in CHO cells assessed as inhibition of DPDPE-stimulated [35S]GTP-gamma-S bin...


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


(Homo sapiens (human))
BDBM50181392
PNG
((R)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine]-...)
Show SMILES O=C(NCCCN1CCC2(CC1)OCc1ccccc21)[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C27H35N3O2/c31-26(25-12-6-17-30(25)20-22-8-2-1-3-9-22)28-15-7-16-29-18-13-27(14-19-29)24-11-5-4-10-23(24)21-32-27/h1-5,8-11,25H,6-7,12-21H2,(H,28,31)/t25-/m1/s1
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n/an/a 0.150n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on nociceptin-induced [35S]GTPgammaS binding to ORL1 expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50363340
PNG
(CHEMBL1946025)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2cscn2)CC1)c1cccc2cccnc12
Show InChI InChI=1S/C30H32N4OS/c1-3-34(4-2)30(35)25-12-10-22(11-13-25)28(27-9-5-7-24-8-6-16-31-29(24)27)23-14-17-33(18-15-23)19-26-20-36-21-32-26/h5-13,16,20-21H,3-4,14-15,17-19H2,1-2H3
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n/an/a 0.160n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


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


(Homo sapiens (human))
BDBM50101624
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C
Show InChI InChI=1S/C26H36N4O3/c1-16-10-21(31)11-17(2)22(16)13-23(27)24(32)30-15-19-9-7-6-8-18(19)12-20(30)14-28-25(33)29-26(3,4)5/h6-11,20,23,31H,12-15,27H2,1-5H3,(H2,28,29,33)/t20-,23-/m0/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

More data for this
Ligand-Target Pair
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