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Compile Data Set for Download or QSAR

Found 14727 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor'   
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
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50183559
PNG
(CHEMBL374325 | Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-NMe...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C59H73N9O15/c1-7-8-22-48(54(76)64-46(57(80)81)31-39-34-68(58(82)83-59(3,4)5)47-23-16-15-21-41(39)47)67(6)55(77)44(32-50(71)72)62-53(75)43(29-37-19-13-10-14-20-37)66-65-42(28-36-17-11-9-12-18-36)52(74)60-33-49(70)61-35(2)51(73)63-45(56(78)79)30-38-24-26-40(69)27-25-38/h9-21,23-27,34-35,42-46,48,65-66,69H,7-8,22,28-33H2,1-6H3,(H,60,74)(H,61,70)(H,62,75)(H,63,73)(H,64,76)(H,71,72)(H,78,79)(H,80,81)/t35-,42+,43+,44+,45+,46-,48+/m1/s1
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n/an/a 0n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor by inhibition of muscle contraction in electrically stimulated isolated guinea pig ileum at 1 uM


J Med Chem 49: 1773-80 (2006)


Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM
More data for this
Ligand-Target Pair
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


Bioorg Med Chem Lett 16: 4839-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.060
BindingDB Entry DOI: 10.7270/Q2319WQG
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010532
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1
Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1
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n/an/a 0.00700n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
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


Bioorg Med Chem Lett 18: 1350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.009
BindingDB Entry DOI: 10.7270/Q2QR4WWN
More data for this
Ligand-Target Pair
Mu-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 0.0125n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50012477
PNG
(1-Phenethyl-4-(phenyl-propionyl-amino)-piperidine-...)
Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)OC
Show InChI InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3
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n/an/a 0.0190n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Bioorg Med Chem 22: 4581-6 (2014)


Article DOI: 10.1016/j.bmc.2014.07.033
BindingDB Entry DOI: 10.7270/Q2P270WT
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=1S/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-/m0/s1
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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


Bioorg Med Chem 22: 6545-51 (2015)


Article DOI: 10.1016/j.bmc.2014.10.022
BindingDB Entry DOI: 10.7270/Q2HT2QZJ
More data for this
Ligand-Target Pair
Mu-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 0.0280n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010705
PNG
(CHEMBL385759 | H-Tyr-Gly-Gly-Phe-Cys-Arg-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C57H89N21O12S2/c1-3-31(2)45-53(89)74-38(15-9-23-68-57(64)65)54(90)78-24-10-16-42(78)52(88)75-40(46(59)82)29-91-92-30-41(51(87)73-36(13-7-21-66-55(60)61)48(84)72-37(49(85)77-45)14-8-22-67-56(62)63)76-50(86)39(26-32-11-5-4-6-12-32)71-44(81)28-69-43(80)27-70-47(83)35(58)25-33-17-19-34(79)20-18-33/h4-6,11-12,17-20,31,35-42,45,79H,3,7-10,13-16,21-30,58H2,1-2H3,(H2,59,82)(H,69,80)(H,70,83)(H,71,81)(H,72,84)(H,73,87)(H,74,89)(H,75,88)(H,76,86)(H,77,85)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t31-,35-,36-,37-,38-,39-,40-,41-,42-,45-/m0/s1
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n/an/a 0.0300n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 in guinea pig brain homogenate using [3H]- PL-17 as radioligand


J Med Chem 33: 1874-9 (1990)


Article DOI: 10.1021/jm00169a007
BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50195659
PNG
(CHEMBL217395 | N-cyclopropylmethyl-14beta-[3'-(4'-...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCc1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-5,7-10,19,24,28H,2-3,6,11-17H2,1H3,(H,32,35)/t24-,28+,29+,30-/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
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
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=1S/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-/m0/s1
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n/an/a 0.0330n/an/an/an/an/an/a



Kyushu University

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...


Bioorg Med Chem 22: 5902-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.018
BindingDB Entry DOI: 10.7270/Q2WD42BN
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50125999
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O
Show InChI InChI=1S/C29H42N8O5/c1-17-13-20(38)14-18(2)21(17)16-22(30)26(40)36-23(9-6-11-35-29(32)33)28(42)37-24(15-19-7-4-3-5-8-19)27(41)34-12-10-25(31)39/h3-5,7-8,13-14,22-24,38H,6,9-12,15-16,30H2,1-2H3,(H2,31,39)(H,34,41)(H,36,40)(H,37,42)(H4,32,33,35)/t22-,23+,24-/m0/s1
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n/an/a 0.0340n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit electrically induced contractions of guinea pig ileum having mu opioid receptors tested in vitro


Bioorg Med Chem Lett 13: 1269-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00110-0
BindingDB Entry DOI: 10.7270/Q2XS5TQ5
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


Bioorg Med Chem 17: 3789-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.046
BindingDB Entry DOI: 10.7270/Q2BV7GHH
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=1S/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-/m0/s1
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n/an/a 0.0400n/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


Bioorg Med Chem 22: 6545-51 (2015)


Article DOI: 10.1016/j.bmc.2014.10.022
BindingDB Entry DOI: 10.7270/Q2HT2QZJ
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


Bioorg Med Chem 17: 3789-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.046
BindingDB Entry DOI: 10.7270/Q2BV7GHH
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)


Article DOI: 10.1021/jm00080a005
BindingDB Entry DOI: 10.7270/Q26T0KKD
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


Bioorg Med Chem Lett 16: 4839-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.060
BindingDB Entry DOI: 10.7270/Q2319WQG
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


Bioorg Med Chem Lett 16: 4839-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.060
BindingDB Entry DOI: 10.7270/Q2319WQG
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=1S/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-/m0/s1
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n/an/a 0.0590n/an/an/an/an/an/a



Kyushu University

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...


Bioorg Med Chem 22: 5902-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.018
BindingDB Entry DOI: 10.7270/Q2WD42BN
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50292220
PNG
(1-[2-[(S)-(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-ph...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H54N6O7/c1-28-22-34(53)23-29(2)35(28)27-36(46)41(55)49-39(26-32-16-18-33(52)19-17-32)43(57)51-45(20-10-5-11-21-45)44(58)50-38(25-31-14-8-4-9-15-31)42(56)48-37(40(47)54)24-30-12-6-3-7-13-30/h3-4,6-9,12-19,22-23,36-39,52-53H,5,10-11,20-21,24-27,46H2,1-2H3,(H2,47,54)(H,48,56)(H,49,55)(H,50,58)(H,51,57)/t36-,37-,38-,39-/m0/s1
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n/an/a 0.0710n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibitory concentration in guinea-pig ileum assay


Bioorg Med Chem Lett 15: 599-602 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.040
BindingDB Entry DOI: 10.7270/Q2FB52FN
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50051173
PNG
(CHEMBL217049 | Cyclic Lactam Peptide Analogues of ...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
Show InChI InChI=1S/C65H106N20O14/c1-5-38(4)53(62(98)81-46(21-14-30-75-65(72)73)63(99)85-31-15-22-50(85)61(97)78-43(54(69)90)18-9-11-27-66)84-58(94)45(20-13-29-74-64(70)71)79-57(93)44(19-10-12-28-67)80-59(95)47(32-37(2)3)83-60(96)48(34-39-16-7-6-8-17-39)77-51(87)36-76-56(92)49(35-52(88)89)82-55(91)42(68)33-40-23-25-41(86)26-24-40/h6-8,16-17,23-26,37-38,42-50,53,86H,5,9-15,18-22,27-36,66-68H2,1-4H3,(H2,69,90)(H,76,92)(H,77,87)(H,78,97)(H,79,93)(H,80,95)(H,81,98)(H,82,91)(H,83,96)(H,84,94)(H,88,89)(H4,70,71,74)(H4,72,73,75)/t38-,42-,43+,44-,45-,46-,47-,48-,49-,50+,53-/m0/s1
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n/an/a 0.0800n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain membrane homogenates


J Med Chem 39: 1136-41 (1996)


Article DOI: 10.1021/jm950369c
BindingDB Entry DOI: 10.7270/Q2X63M13
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


Bioorg Med Chem Lett 16: 4839-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.060
BindingDB Entry DOI: 10.7270/Q2319WQG
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



Kyushu University

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


Bioorg Med Chem 22: 5902-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.018
BindingDB Entry DOI: 10.7270/Q2WD42BN
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50040126
PNG
(CHEMBL265241 | Tyr-Gly-Gly-Phe-leu-c(Cys-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C58H92N18O13S2/c1-5-33(4)47-55(87)71-38(16-11-23-65-57(61)62)49(81)74-44(54(86)72-40(56(88)89)15-9-10-22-59)31-91-90-30-43(53(85)70-39(50(82)76-47)17-12-24-66-58(63)64)75-51(83)41(25-32(2)3)73-52(84)42(27-34-13-7-6-8-14-34)69-46(79)29-67-45(78)28-68-48(80)37(60)26-35-18-20-36(77)21-19-35/h6-8,13-14,18-21,32-33,37-44,47,77H,5,9-12,15-17,22-31,59-60H2,1-4H3,(H,67,78)(H,68,80)(H,69,79)(H,70,85)(H,71,87)(H,72,86)(H,73,84)(H,74,81)(H,75,83)(H,76,82)(H,88,89)(H4,61,62,65)(H4,63,64,66)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1
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n/an/a 0.0910n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PL-17 binding to mu opioid receptor of guinea pig brain homogenate


J Med Chem 36: 750-7 (1993)


Article DOI: 10.1021/jm00058a012
BindingDB Entry DOI: 10.7270/Q2K936K7
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)


Article DOI: 10.1021/jm00033a005
BindingDB Entry DOI: 10.7270/Q27H1HN2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50083734
PNG
(2-Amino-N-[(R)-6-(4-hydroxy-benzyl)-3-methyl-2,5,8...)
Show SMILES C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H35N5O5/c1-17-24(34)29-14-6-5-9-22(31-25(35)21(28)15-19-10-12-20(33)13-11-19)26(36)32-23(27(37)30-17)16-18-7-3-2-4-8-18/h2-4,7-8,10-13,17,21-23,33H,5-6,9,14-16,28H2,1H3,(H,29,34)(H,30,37)(H,31,35)(H,32,36)/t17-,21-,22+,23-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



University of Louisville

Curated by ChEMBL


Assay Description
In vitro mu opioid activity was determined by its ability to inhibit the electrically induced contractions of smooth muscle preparations in guinea pi...


Bioorg Med Chem Lett 9: 3441-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00625-3
BindingDB Entry DOI: 10.7270/Q2P55MQ9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50300357
PNG
((S)-2-((S)-1-((2S,8S,11R)-11-((S)-2-amino-3-(4-hyd...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN(C(=O)CBr)C(=O)CBr)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(O)=O
Show InChI InChI=1S/C46H56Br2N8O13/c47-23-39(61)56(40(62)24-48)19-4-8-33(52-41(63)32(49)20-28-10-14-30(58)15-11-28)43(65)53-34(21-27-6-2-1-3-7-27)42(64)50-25-38(60)51-35(22-29-12-16-31(59)17-13-29)45(67)55-18-5-9-37(55)44(66)54-36(26-57)46(68)69/h1-3,6-7,10-17,32-37,57-59H,4-5,8-9,18-26,49H2,(H,50,64)(H,51,60)(H,52,63)(H,53,65)(H,54,66)(H,68,69)/t32-,33+,34-,35-,36-,37-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells after 90 mins by scintillation counting


J Med Chem 52: 7372-5 (2009)


Article DOI: 10.1021/jm9007592
BindingDB Entry DOI: 10.7270/Q2K64J5B
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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University of Debrecen

Curated by ChEMBL


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


Bioorg Med Chem 18: 3535-42 (2010)


Article DOI: 10.1016/j.bmc.2010.03.068
BindingDB Entry DOI: 10.7270/Q2JS9QK7
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50108490
PNG
((3R,6S,9S)-9-(4-Amino-butyl)-1-[(S)-2-amino-3-(4-h...)
Show SMILES C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C27H35N5O5/c1-17-26(36)32(27(37)21(29)15-19-10-12-20(33)13-11-19)23(9-5-6-14-28)25(35)31-22(24(34)30-17)16-18-7-3-2-4-8-18/h2-4,7-8,10-13,17,21-23,33H,5-6,9,14-16,28-29H2,1H3,(H,30,34)(H,31,35)/t17-,21+,22+,23+/m1/s1
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n/an/a 0.110n/an/an/an/an/an/a



University of Louisville

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of electrically induced contraction of the guinea pig ileum mediated through mu opioid receptor


Bioorg Med Chem Lett 12: 213-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00706-5
BindingDB Entry DOI: 10.7270/Q2W096FD
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


J Med Chem 49: 847-9 (2006)


Article DOI: 10.1021/jm0509851
BindingDB Entry DOI: 10.7270/Q2DJ5F78
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50195660
PNG
(CHEMBL384497 | N-cyclopropylmethyl-14beta-[3'-(4'-...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCc1ccc(Cl)cc1
Show InChI InChI=1S/C30H35ClN2O3/c1-35-24-11-8-21-17-25-30(32-15-2-3-19-6-9-22(31)10-7-19)13-12-23(34)28-29(30,26(21)27(24)36-28)14-16-33(25)18-20-4-5-20/h6-11,20,25,28,32H,2-5,12-18H2,1H3/t25-,28+,29+,30-/m1/s1
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n/an/a 0.120n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50212609
PNG
(CHEMBL228409 | Dmt-Pro-Dmp-Phe-NH2)
Show SMILES Cc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H45N5O5/c1-21-10-8-11-22(2)28(21)20-31(34(44)39-30(33(38)43)18-25-12-6-5-7-13-25)40-35(45)32-14-9-15-41(32)36(46)29(37)19-27-23(3)16-26(42)17-24(27)4/h5-8,10-13,16-17,29-32,42H,9,14-15,18-20,37H2,1-4H3,(H2,38,43)(H,39,44)(H,40,45)/t29-,30-,31-,32-/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
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)


Article DOI: 10.1021/jm010092i
BindingDB Entry DOI: 10.7270/Q25H7FJJ
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)


Article DOI: 10.1021/jm00080a005
BindingDB Entry DOI: 10.7270/Q26T0KKD
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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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)


Article DOI: 10.1021/jm00080a005
BindingDB Entry DOI: 10.7270/Q26T0KKD
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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University of Debrecen

Curated by ChEMBL


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


Bioorg Med Chem 18: 3535-42 (2010)


Article DOI: 10.1016/j.bmc.2010.03.068
BindingDB Entry DOI: 10.7270/Q2JS9QK7
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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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)


Article DOI: 10.1021/jm00033a005
BindingDB Entry DOI: 10.7270/Q27H1HN2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Tested for effective concentration against cloned human Opioid receptor mu 1


J Med Chem 46: 34-48 (2002)


Article DOI: 10.1021/jm020164l
BindingDB Entry DOI: 10.7270/Q2TM7BTT
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)


Article DOI: 10.1021/jm00033a005
BindingDB Entry DOI: 10.7270/Q27H1HN2
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)


Article DOI: 10.1021/jm00009a013
BindingDB Entry DOI: 10.7270/Q2MG7Q5M
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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n/an/a 0.140n/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


Bioorg Med Chem 18: 3535-42 (2010)


Article DOI: 10.1016/j.bmc.2010.03.068
BindingDB Entry DOI: 10.7270/Q2JS9QK7
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


J Med Chem 39: 2081-6 (1996)


Article DOI: 10.1021/jm950695s
BindingDB Entry DOI: 10.7270/Q2FQ9X82
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50286106
PNG
(CHEMBL321570 | Morphinan Cyclic Imine analogue)
Show SMILES COC12C=CC34C[C@@]1(C)[C@@H](N[C@H]2C31CCN(C)C4Cc2ccc(O)cc12)c1ccccc1
Show InChI InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22?,23-,24-,25-,26?,27?,28?/m0/s1
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n/an/a 0.150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]-DAMGO from mu opioid receptor in hartley guinea pig brain membrane in the presence of 100 nM of ...


Bioorg Med Chem Lett 5: 2969-2974 (1995)


Article DOI: 10.1016/0960-894X(95)00522-1
BindingDB Entry DOI: 10.7270/Q24F1QQT
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


Bioorg Med Chem Lett 16: 4839-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.060
BindingDB Entry DOI: 10.7270/Q2319WQG
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


J Med Chem 49: 847-9 (2006)


Article DOI: 10.1021/jm0509851
BindingDB Entry DOI: 10.7270/Q2DJ5F78
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50212608
PNG
(CHEMBL389948 | Dmt-Pro-Mmp-Phe-NH2)
Show SMILES Cc1ccccc1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H43N5O5/c1-21-10-7-8-13-25(21)19-30(33(43)38-29(32(37)42)18-24-11-5-4-6-12-24)39-34(44)31-14-9-15-40(31)35(45)28(36)20-27-22(2)16-26(41)17-23(27)3/h4-8,10-13,16-17,28-31,41H,9,14-15,18-20,36H2,1-3H3,(H2,37,42)(H,38,43)(H,39,44)/t28-,29-,30-,31-/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50430798
PNG
(CHEMBL2335120)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1
Show InChI InChI=1S/C35H40N6O6/c1-19-13-24(42)14-20(2)26(19)16-27(36)35(46)41-11-10-22(18-41)33(44)39-29(15-23-17-38-28-8-5-4-7-25(23)28)34(45)40-31(21(3)32(37)43)30-9-6-12-47-30/h4-9,12-14,17,22,27,29,31,38,42H,3,10-11,15-16,18,36H2,1-2H3,(H2,37,43)(H,39,44)(H,40,45)/t22-,27+,29+,31-/m1/s1
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n/an/a 0.167n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at mu-type opioid receptor in guinea pig ileum assessed as inhibition of electrically evoked muscle contraction


J Med Chem 56: 3102-14 (2013)


Article DOI: 10.1021/jm400195y
BindingDB Entry DOI: 10.7270/Q2KS6SW8
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50212617
PNG
(CHEMBL374818 | Dmt-Pro-Emp-Phe-NH2)
Show SMILES CCc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C37H47N5O5/c1-5-26-14-9-11-22(2)29(26)21-32(35(45)40-31(34(39)44)19-25-12-7-6-8-13-25)41-36(46)33-15-10-16-42(33)37(47)30(38)20-28-23(3)17-27(43)18-24(28)4/h6-9,11-14,17-18,30-33,43H,5,10,15-16,19-21,38H2,1-4H3,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32-,33-/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50318413
PNG
(7alpha-(1-Hydroxy-1-methyl-ethyl)-6-ethoxy-6-demet...)
Show SMILES CCO[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/C25H33NO3/c1-6-28-25-10-9-23(14-17(25)22(2,3)4)18-13-15-7-8-16(27)20-19(15)24(23,21(25)29-20)11-12-26(18)5/h7-10,17-18,21,27H,6,11-14H2,1-5H3/t17-,18-,21-,23-,24+,25-/m1/s1
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n/an/a 0.180n/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


Bioorg Med Chem 18: 3535-42 (2010)


Article DOI: 10.1016/j.bmc.2010.03.068
BindingDB Entry DOI: 10.7270/Q2JS9QK7
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against Opioid receptor mu 1 using [3H]- DAMGO radioligand


J Med Chem 38: 570-9 (1995)


Article DOI: 10.1021/jm00003a020
BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
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