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Compile Data Set for Download or QSAR

Found 472 hits from Clinical Research Institute of Montreal   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
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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0.0240n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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


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))
BDBM50198754
PNG
(CHEMBL3924888)
Show SMILES Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC(N)=N)NC1=O
Show InChI InChI=1S/C33H48N8O5/c1-20-16-23(42)17-21(2)24(20)19-28-32(46)39-26(13-7-9-15-37-33(35)36)29(43)40-27(18-22-10-4-3-5-11-22)31(45)38-25(30(44)41-28)12-6-8-14-34/h3-5,10-11,16-17,25-28,42H,6-9,12-15,18-19,34H2,1-2H3,(H,38,45)(H,39,46)(H,40,43)(H,41,44)(H4,35,36,37)/t25-,26+,27-,28-/m0/s1
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0.0323n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in rat brain membrane measured after 2 hrs


J Med Chem 59: 9243-9254 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01200
BindingDB Entry DOI: 10.7270/Q23B623F
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50198760
PNG
(CHEMBL3897031)
Show SMILES Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C32H46N8O5/c1-19-15-22(41)16-20(2)23(19)18-27-31(45)38-25(12-8-14-36-32(34)35)29(43)39-26(17-21-9-4-3-5-10-21)30(44)37-24(28(42)40-27)11-6-7-13-33/h3-5,9-10,15-16,24-27,41H,6-8,11-14,17-18,33H2,1-2H3,(H,37,44)(H,38,45)(H,39,43)(H,40,42)(H4,34,35,36)/t24-,25+,26-,27-/m0/s1
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0.0637n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in rat brain membrane measured after 2 hrs


J Med Chem 59: 9243-9254 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01200
BindingDB Entry DOI: 10.7270/Q23B623F
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50198758
PNG
(CHEMBL3908315)
Show SMILES Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)C(CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C31H44N8O5/c1-18-14-21(40)15-19(2)22(18)17-26-30(44)37-24(11-7-13-35-31(33)34)28(42)38-25(16-20-8-4-3-5-9-20)29(43)36-23(10-6-12-32)27(41)39-26/h3-5,8-9,14-15,23-26,40H,6-7,10-13,16-17,32H2,1-2H3,(H,36,43)(H,37,44)(H,38,42)(H,39,41)(H4,33,34,35)/t23?,24-,25+,26+/m1/s1
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0.0745n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in rat brain membrane measured after 2 hrs


J Med Chem 59: 9243-9254 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01200
BindingDB Entry DOI: 10.7270/Q23B623F
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=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/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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0.0869n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity was measured on opioid receptor kappa 1


J Med Chem 44: 3048-53 (2001)


Article DOI: 10.1021/jm0101186
BindingDB Entry DOI: 10.7270/Q28K79SN
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001157
PNG
(CHEMBL538700)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C39H43N5O5/c1-24-17-30(45)18-25(2)31(24)22-32(40)39(49)44-23-29-16-10-9-15-28(29)21-35(44)38(48)43-34(20-27-13-7-4-8-14-27)37(47)42-33(36(41)46)19-26-11-5-3-6-12-26/h3-18,32-35,45H,19-23,40H2,1-2H3,(H2,41,46)(H,42,47)(H,43,48)/t32-,33-,34-,35-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor delta 1 determined by displacing [3H]-DSLET from rat brain membrane binding sites


J Med Chem 42: 3520-6 (1999)


Article DOI: 10.1021/jm980724+
BindingDB Entry DOI: 10.7270/Q2SJ1JT1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50198755
PNG
(CHEMBL3979449)
Show SMILES Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)CC(CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C33H48N8O5/c1-20-15-24(42)16-21(2)25(20)19-28-32(46)40-26(12-8-14-37-33(35)36)30(44)41-27(17-22-9-4-3-5-10-22)31(45)38-23(11-6-7-13-34)18-29(43)39-28/h3-5,9-10,15-16,23,26-28,42H,6-8,11-14,17-19,34H2,1-2H3,(H,38,45)(H,39,43)(H,40,46)(H,41,44)(H4,35,36,37)/t23?,26-,27+,28+/m1/s1
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0.124n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in rat brain membrane measured after 2 hrs


J Med Chem 59: 9243-9254 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01200
BindingDB Entry DOI: 10.7270/Q23B623F
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50198757
PNG
(CHEMBL363142)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24?,25-,26+,27-/m0/s1
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0.143n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in rat brain membrane measured after 2 hrs


J Med Chem 59: 9243-9254 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01200
BindingDB Entry DOI: 10.7270/Q23B623F
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM85731
PNG
([Dmt1]DALDA)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1
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0.143n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by PDSP Ki Database




Eur J Med Chem 35: 895-901 (2000)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q23X856N
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM85736
PNG
(Dmt-d-Arg-Phe-Orn-NH2 | H-Dmt-D-Arg-Phe-Orn-NH2)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(N)=O
Show InChI InChI=1S/C31H47N9O5/c1-18-14-21(41)15-19(2)22(18)17-23(33)28(43)39-25(11-7-13-37-31(35)36)29(44)40-26(16-20-8-4-3-5-9-20)30(45)38-24(27(34)42)10-6-12-32/h3-5,8-9,14-15,23-26,41H,6-7,10-13,16-17,32-33H2,1-2H3,(H2,34,42)(H,38,45)(H,39,43)(H,40,44)(H4,35,36,37)/t23-,24-,25+,26-/m0/s1
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0.151n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by PDSP Ki Database




Eur J Med Chem 35: 895-901 (2000)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q23X856N
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1CC35O
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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0.182n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Tested for binding affinity against delta opioid receptor by displacing [3H]- DSLET radioligand from rat brain membrane preparations


J Med Chem 36: 3182-7 (1993)


Article DOI: 10.1021/jm00073a020
BindingDB Entry DOI: 10.7270/Q2F190BW
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM85732
PNG
(Tmt-D-Arg-Phe-Lys-NH2)
Show SMILES CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C33H51N9O5/c1-20-16-23(43)17-21(2)24(20)19-27(38-3)31(46)41-26(13-9-15-39-33(36)37)30(45)42-28(18-22-10-5-4-6-11-22)32(47)40-25(29(35)44)12-7-8-14-34/h4-6,10-11,16-17,25-28,38,43H,7-9,12-15,18-19,34H2,1-3H3,(H2,35,44)(H,40,47)(H,41,46)(H,42,45)(H4,36,37,39)/t25-,26+,27-,28-/m0/s1
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0.192n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by PDSP Ki Database




Eur J Med Chem 35: 895-901 (2000)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q23X856N
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM85734
PNG
(H-Hmt-D-Arg-Phe-Lys-NH2 I | H-Hmt-D-Arg-Phe-Lys-NH...)
Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C31H47N9O5/c1-19-16-22(41)13-12-21(19)18-23(33)28(43)39-25(11-7-15-37-31(35)36)29(44)40-26(17-20-8-3-2-4-9-20)30(45)38-24(27(34)42)10-5-6-14-32/h2-4,8-9,12-13,16,23-26,41H,5-7,10-11,14-15,17-18,32-33H2,1H3,(H2,34,42)(H,38,45)(H,39,43)(H,40,44)(H4,35,36,37)/t23-,24-,25+,26-/m0/s1
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0.222n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by PDSP Ki Database




Eur J Med Chem 35: 895-901 (2000)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q23X856N
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50299557
PNG
((S)-2-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H42N4O6/c1-24-17-30(44)18-25(2)31(24)22-32(40)38(47)43-23-29-16-10-9-15-28(29)21-35(43)37(46)41-33(19-26-11-5-3-6-12-26)36(45)42-34(39(48)49)20-27-13-7-4-8-14-27/h3-18,32-35,44H,19-23,40H2,1-2H3,(H,41,46)(H,42,45)(H,48,49)/t32-,33-,34-,35-/m0/s1
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0.248n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50103978
PNG
(CHEMBL436911 | [Dmt1]Dyn A(1-11)-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)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/C65H108N22O12/c1-7-37(4)53(61(98)84-47(22-15-27-77-65(73)74)62(99)87-28-16-23-50(87)60(97)81-44(54(68)91)19-11-12-24-66)86-57(94)46(21-14-26-76-64(71)72)82-56(93)45(20-13-25-75-63(69)70)83-58(95)48(29-36(2)3)85-59(96)49(32-40-17-9-8-10-18-40)80-52(90)35-78-51(89)34-79-55(92)43(67)33-42-38(5)30-41(88)31-39(42)6/h8-10,17-18,30-31,36-37,43-50,53,88H,7,11-16,19-29,32-35,66-67H2,1-6H3,(H2,68,91)(H,78,89)(H,79,92)(H,80,90)(H,81,97)(H,82,93)(H,83,95)(H,84,98)(H,85,96)(H,86,94)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t37-,43-,44-,45-,46-,47-,48-,49-,50-,53-/m0/s1
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0.322n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity was measured on opioid receptor kappa 1


J Med Chem 44: 3048-53 (2001)


Article DOI: 10.1021/jm0101186
BindingDB Entry DOI: 10.7270/Q28K79SN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50096714
PNG
(2-[2-(2-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phen...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O
Show InChI InChI=1S/C31H44N6O6/c1-17(2)11-25(28(33)40)37-31(43)26(14-21-9-7-6-8-10-21)36-27(39)16-34-29(41)20(5)35-30(42)24(32)15-23-18(3)12-22(38)13-19(23)4/h6-10,12-13,17,20,24-26,38H,11,14-16,32H2,1-5H3,(H2,33,40)(H,34,41)(H,35,42)(H,36,39)(H,37,43)/t20-,24-,25-,26-/m0/s1
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0.322n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Tested for binding affinity towards Opioid receptor delta 1 in rat and guinea pig brain membrane binding assays


Bioorg Med Chem Lett 11: 323-5 (2001)


Article DOI: 10.1016/s0960-894x(00)00660-0
BindingDB Entry DOI: 10.7270/Q290231V
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50401035
PNG
(CHEMBL2206325)
Show SMILES CCCCCCNC(=O)c1ccc(C[C@H](N)C(=O)N2Cc3ccccc3CC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C44H51N5O6/c1-2-3-4-13-24-46-40(50)33-22-20-32(21-23-33)25-36(45)43(53)49-29-35-19-12-11-18-34(35)28-39(49)42(52)47-37(26-30-14-7-5-8-15-30)41(51)48-38(44(54)55)27-31-16-9-6-10-17-31/h5-12,14-23,36-39H,2-4,13,24-29,45H2,1H3,(H,46,50)(H,47,52)(H,48,51)(H,54,55)/t36-,37-,38-,39?/m0/s1
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0.369n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs


Bioorg Med Chem Lett 22: 1899-902 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.063
BindingDB Entry DOI: 10.7270/Q22N53D9
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50080454
PNG
(2-[(S)-3-(4-Hydroxy-2,6-dimethyl-phenyl)-2-methyla...)
Show SMILES CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C40H45N5O5/c1-25-18-31(46)19-26(2)32(25)23-35(42-3)40(50)45-24-30-17-11-10-16-29(30)22-36(45)39(49)44-34(21-28-14-8-5-9-15-28)38(48)43-33(37(41)47)20-27-12-6-4-7-13-27/h4-19,33-36,42,46H,20-24H2,1-3H3,(H2,41,47)(H,43,48)(H,44,49)/t33-,34-,35-,36-/m0/s1
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0.390n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor delta 1 determined by displacing [3H]-DSLET from rat brain membrane binding sites


J Med Chem 42: 3520-6 (1999)


Article DOI: 10.1021/jm980724+
BindingDB Entry DOI: 10.7270/Q2SJ1JT1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50103978
PNG
(CHEMBL436911 | [Dmt1]Dyn A(1-11)-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)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/C65H108N22O12/c1-7-37(4)53(61(98)84-47(22-15-27-77-65(73)74)62(99)87-28-16-23-50(87)60(97)81-44(54(68)91)19-11-12-24-66)86-57(94)46(21-14-26-76-64(71)72)82-56(93)45(20-13-25-75-63(69)70)83-58(95)48(29-36(2)3)85-59(96)49(32-40-17-9-8-10-18-40)80-52(90)35-78-51(89)34-79-55(92)43(67)33-42-38(5)30-41(88)31-39(42)6/h8-10,17-18,30-31,36-37,43-50,53,88H,7,11-16,19-29,32-35,66-67H2,1-6H3,(H2,68,91)(H,78,89)(H,79,92)(H,80,90)(H,81,97)(H,82,93)(H,83,95)(H,84,98)(H,85,96)(H,86,94)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t37-,43-,44-,45-,46-,47-,48-,49-,50-,53-/m0/s1
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0.435n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity was measured on mu opioid receptor


J Med Chem 44: 3048-53 (2001)


Article DOI: 10.1021/jm0101186
BindingDB Entry DOI: 10.7270/Q28K79SN
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50314880
PNG
(CHEMBL1089542 | N-(3-(guanidinomethyl)benzyl)-N-(1...)
Show SMILES CCC(=O)N(Cc1cccc(CN=C(N)N)c1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C25H35N5O/c1-2-24(31)30(19-22-10-6-9-21(17-22)18-28-25(26)27)23-12-15-29(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17,23H,2,11-16,18-19H2,1H3,(H4,26,27,28)
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0.448n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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


J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50080453
PNG
((S)-2-({2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C39H45N5O4/c1-25-17-32(45)18-26(2)33(25)22-34(40)39(48)44-24-30-16-10-9-15-29(30)21-31(44)23-42-36(20-28-13-7-4-8-14-28)38(47)43-35(37(41)46)19-27-11-5-3-6-12-27/h3-18,31,34-36,42,45H,19-24,40H2,1-2H3,(H2,41,46)(H,43,47)/t31?,34-,35-,36-/m0/s1
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0.450n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor delta 1 determined by displacing [3H]-DSLET from rat brain membrane binding sites


J Med Chem 42: 3520-6 (1999)


Article DOI: 10.1021/jm980724+
BindingDB Entry DOI: 10.7270/Q2SJ1JT1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50096714
PNG
(2-[2-(2-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phen...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O
Show InChI InChI=1S/C31H44N6O6/c1-17(2)11-25(28(33)40)37-31(43)26(14-21-9-7-6-8-10-21)36-27(39)16-34-29(41)20(5)35-30(42)24(32)15-23-18(3)12-22(38)13-19(23)4/h6-10,12-13,17,20,24-26,38H,11,14-16,32H2,1-5H3,(H2,33,40)(H,34,41)(H,35,42)(H,36,39)(H,37,43)/t20-,24-,25-,26-/m0/s1
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0.492n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Tested for binding affinity towards Opioid receptor mu 1 in rat and guinea pig brain membrane binding assays


Bioorg Med Chem Lett 11: 323-5 (2001)


Article DOI: 10.1016/s0960-894x(00)00660-0
BindingDB Entry DOI: 10.7270/Q290231V
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50299558
PNG
(CHEMBL583488 | H-4'-carboxamido-2',6'-dimethylphen...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O
Show InChI InChI=1S/C40H43N5O6/c1-24-17-30(36(42)46)18-25(2)31(24)22-32(41)39(49)45-23-29-16-10-9-15-28(29)21-35(45)38(48)43-33(19-26-11-5-3-6-12-26)37(47)44-34(40(50)51)20-27-13-7-4-8-14-27/h3-18,32-35H,19-23,41H2,1-2H3,(H2,42,46)(H,43,48)(H,44,47)(H,50,51)/t32-,33-,34-,35-/m0/s1
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0.501n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50299559
PNG
(CHEMBL583285 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C43H42N4O5/c44-37(25-31-17-21-34(22-18-31)40(48)45-24-23-29-15-19-33(20-16-29)32-11-5-2-6-12-32)42(50)47-28-36-14-8-7-13-35(36)27-39(47)41(49)46-38(43(51)52)26-30-9-3-1-4-10-30/h1-22,37-39H,23-28,44H2,(H,45,48)(H,46,49)(H,51,52)/t37-,38-,39-/m0/s1
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0.536n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50314880
PNG
(CHEMBL1089542 | N-(3-(guanidinomethyl)benzyl)-N-(1...)
Show SMILES CCC(=O)N(Cc1cccc(CN=C(N)N)c1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C25H35N5O/c1-2-24(31)30(19-22-10-6-9-21(17-22)18-28-25(26)27)23-12-15-29(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17,23H,2,11-16,18-19H2,1H3,(H4,26,27,28)
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0.536n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50205832
PNG
(CHEMBL220327 | H-Tyr-c[D-Cys-Gly-Phe-D-Cys]NH2)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1S/C26H32N6O6S2/c27-18(10-16-6-8-17(33)9-7-16)24(36)32-21-14-40-39-13-20(23(28)35)31-26(38)19(11-15-4-2-1-3-5-15)30-22(34)12-29-25(21)37/h1-9,18-21,33H,10-14,27H2,(H2,28,35)(H,29,37)(H,30,34)(H,31,38)(H,32,36)/t18-,19-,20-,21-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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


J Med Chem 50: 1414-7 (2007)


Article DOI: 10.1021/jm061294n
BindingDB Entry DOI: 10.7270/Q22F7N41
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50299560
PNG
(CHEMBL572542 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C52H51N5O6/c53-44(30-38-22-26-41(27-23-38)48(58)54-29-28-35-20-24-40(25-21-35)39-16-8-3-9-17-39)51(61)57-34-43-19-11-10-18-42(43)33-47(57)50(60)55-45(31-36-12-4-1-5-13-36)49(59)56-46(52(62)63)32-37-14-6-2-7-15-37/h1-27,44-47H,28-34,53H2,(H,54,58)(H,55,60)(H,56,59)(H,62,63)/t44-,45-,46-,47-/m0/s1
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0.605n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50205834
PNG
(CHEMBL220333 | CHEMBL223244 | H-Tyr-c[D-Allylgly-G...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1S/C28H34N6O6/c29-20(14-18-10-12-19(35)13-11-18)26(38)34-22-9-5-4-8-21(25(30)37)33-28(40)23(15-17-6-2-1-3-7-17)32-24(36)16-31-27(22)39/h1-7,10-13,20-23,35H,8-9,14-16,29H2,(H2,30,37)(H,31,39)(H,32,36)(H,33,40)(H,34,38)/t20-,21-,22+,23-/m0/s1
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0.616n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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


J Med Chem 50: 1414-7 (2007)


Article DOI: 10.1021/jm061294n
BindingDB Entry DOI: 10.7270/Q22F7N41
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50299561
PNG
(CHEMBL572543 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C34H33N3O4/c35-30(33(39)37-22-29-9-5-4-8-28(29)21-31(37)34(40)41)20-24-12-16-27(17-13-24)32(38)36-19-18-23-10-14-26(15-11-23)25-6-2-1-3-7-25/h1-17,30-31H,18-22,35H2,(H,36,38)(H,40,41)/t30-,31-/m0/s1
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0.646n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=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/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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0.653n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity was measured on mu opioid receptor


J Med Chem 44: 3048-53 (2001)


Article DOI: 10.1021/jm0101186
BindingDB Entry DOI: 10.7270/Q28K79SN
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001456
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C46H66N10O10/c1-5-7-14-33(51-41(61)32(47)21-29-16-18-31(57)19-17-29)43(63)55-37(22-28-12-10-9-11-13-28)45(65)56-38(23-30-25-49-26-50-30)46(66)54-36(20-27(3)4)44(64)52-34(15-8-6-2)42(62)53-35(40(48)60)24-39(58)59/h9-13,16-19,25-27,32-38,57H,5-8,14-15,20-24,47H2,1-4H3,(H2,48,60)(H,49,50)(H,51,61)(H,52,64)(H,53,62)(H,54,66)(H,55,63)(H,56,65)(H,58,59)/t32-,33+,34-,35-,36-,37-,38-/m0/s1
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0.665n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to delta receptor from rat brain membrane


J Med Chem 35: 3956-61 (1992)


Article DOI: 10.1021/jm00099a025
BindingDB Entry DOI: 10.7270/Q2H70DRH
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50198754
PNG
(CHEMBL3924888)
Show SMILES Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC(N)=N)NC1=O
Show InChI InChI=1S/C33H48N8O5/c1-20-16-23(42)17-21(2)24(20)19-28-32(46)39-26(13-7-9-15-37-33(35)36)29(43)40-27(18-22-10-4-3-5-11-22)31(45)38-25(30(44)41-28)12-6-8-14-34/h3-5,10-11,16-17,25-28,42H,6-9,12-15,18-19,34H2,1-2H3,(H,38,45)(H,39,46)(H,40,43)(H,41,44)(H4,35,36,37)/t25-,26+,27-,28-/m0/s1
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0.733n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from KOR in guinea pig brain membrane measured after 2 hrs


J Med Chem 59: 9243-9254 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01200
BindingDB Entry DOI: 10.7270/Q23B623F
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50299562
PNG
(CHEMBL572494 | H-2',6'-dimethyl-4'-[N-((4'-phenyl)...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C54H55N5O6/c1-35-28-44(50(60)56-27-26-37-22-24-41(25-23-37)40-18-10-5-11-19-40)29-36(2)45(35)33-46(55)53(63)59-34-43-21-13-12-20-42(43)32-49(59)52(62)57-47(30-38-14-6-3-7-15-38)51(61)58-48(54(64)65)31-39-16-8-4-9-17-39/h3-25,28-29,46-49H,26-27,30-34,55H2,1-2H3,(H,56,60)(H,57,62)(H,58,61)(H,64,65)/t46-,47-,48-,49-/m0/s1
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0.783n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50198755
PNG
(CHEMBL3979449)
Show SMILES Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)CC(CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C33H48N8O5/c1-20-15-24(42)16-21(2)25(20)19-28-32(46)40-26(12-8-14-37-33(35)36)30(44)41-27(17-22-9-4-3-5-10-22)31(45)38-23(11-6-7-13-34)18-29(43)39-28/h3-5,9-10,15-16,23,26-28,42H,6-8,11-14,17-19,34H2,1-2H3,(H,38,45)(H,39,43)(H,40,46)(H,41,44)(H4,35,36,37)/t23?,26-,27+,28+/m1/s1
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0.786n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from KOR in guinea pig brain membrane measured after 2 hrs


J Med Chem 59: 9243-9254 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01200
BindingDB Entry DOI: 10.7270/Q23B623F
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM85733
PNG
(H-Dmt-D-Arg-Phe-A2bu-NH2)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCN)C(N)=O
Show InChI InChI=1S/C30H45N9O5/c1-17-13-20(40)14-18(2)21(17)16-22(32)27(42)38-24(9-6-12-36-30(34)35)28(43)39-25(15-19-7-4-3-5-8-19)29(44)37-23(10-11-31)26(33)41/h3-5,7-8,13-14,22-25,40H,6,9-12,15-16,31-32H2,1-2H3,(H2,33,41)(H,37,44)(H,38,42)(H,39,43)(H4,34,35,36)/t22-,23-,24+,25-/m0/s1
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0.803n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by PDSP Ki Database




Eur J Med Chem 35: 895-901 (2000)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q23X856N
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50198754
PNG
(CHEMBL3924888)
Show SMILES Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC(N)=N)NC1=O
Show InChI InChI=1S/C33H48N8O5/c1-20-16-23(42)17-21(2)24(20)19-28-32(46)39-26(13-7-9-15-37-33(35)36)29(43)40-27(18-22-10-4-3-5-11-22)31(45)38-25(30(44)41-28)12-6-8-14-34/h3-5,10-11,16-17,25-28,42H,6-9,12-15,18-19,34H2,1-2H3,(H,38,45)(H,39,46)(H,40,43)(H,41,44)(H4,35,36,37)/t25-,26+,27-,28-/m0/s1
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0.807n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from DOR in rat brain membrane measured after 2 hrs


J Med Chem 59: 9243-9254 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01200
BindingDB Entry DOI: 10.7270/Q23B623F
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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0.810n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity was measured on opioid receptor kappa 1


J Med Chem 44: 3048-53 (2001)


Article DOI: 10.1021/jm0101186
BindingDB Entry DOI: 10.7270/Q28K79SN
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50205832
PNG
(CHEMBL220327 | H-Tyr-c[D-Cys-Gly-Phe-D-Cys]NH2)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1S/C26H32N6O6S2/c27-18(10-16-6-8-17(33)9-7-16)24(36)32-21-14-40-39-13-20(23(28)35)31-26(38)19(11-15-4-2-1-3-5-15)30-22(34)12-29-25(21)37/h1-9,18-21,33H,10-14,27H2,(H2,28,35)(H,29,37)(H,30,34)(H,31,38)(H,32,36)/t18-,19-,20-,21-/m0/s1
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0.822n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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


J Med Chem 50: 1414-7 (2007)


Article DOI: 10.1021/jm061294n
BindingDB Entry DOI: 10.7270/Q22F7N41
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50252860
PNG
((S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-g...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C66H109N21O12/c1-8-38(4)54(62(98)84-48(23-16-28-77-66(73)74)63(99)87-29-17-24-51(87)61(97)81-45(55(68)91)20-12-13-25-67)86-58(94)47(22-15-27-76-65(71)72)82-57(93)46(21-14-26-75-64(69)70)83-59(95)49(30-37(2)3)85-60(96)50(34-42-18-10-9-11-19-42)80-53(90)36-78-52(89)35-79-56(92)41(7)33-44-39(5)31-43(88)32-40(44)6/h9-11,18-19,31-32,37-38,41,45-51,54,88H,8,12-17,20-30,33-36,67H2,1-7H3,(H2,68,91)(H,78,89)(H,79,92)(H,80,90)(H,81,97)(H,82,93)(H,83,95)(H,84,98)(H,85,96)(H,86,94)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t38-,41-,45-,46-,47-,48-,49-,50-,51-,54-/m0/s1
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0.823n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity was measured on opioid receptor kappa 1


J Med Chem 44: 3048-53 (2001)


Article DOI: 10.1021/jm0101186
BindingDB Entry DOI: 10.7270/Q28K79SN
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50299563
PNG
(CHEMBL583487 | H-2',6'-dimethyl-4'-[N-((4'-phenyl)...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)C(=O)NCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C36H37N3O4/c1-23-18-30(34(40)38-17-16-25-12-14-27(15-13-25)26-8-4-3-5-9-26)19-24(2)31(23)21-32(37)35(41)39-22-29-11-7-6-10-28(29)20-33(39)36(42)43/h3-15,18-19,32-33H,16-17,20-22,37H2,1-2H3,(H,38,40)(H,42,43)/t32-,33-/m0/s1
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0.825n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50041142
PNG
((S)-2-Amino-N-((5S,8S,16aR)-5-benzyl-4,7,13,16-tet...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C30H38N6O6/c31-22(16-20-10-12-21(37)13-11-20)27(39)34-23-8-4-14-32-26(38)18-33-29(41)25-9-5-15-36(25)30(42)24(35-28(23)40)17-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-25,37H,4-5,8-9,14-18,31H2,(H,32,38)(H,33,41)(H,34,39)(H,35,40)/t22-,23-,24-,25+/m0/s1
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0.880n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptors by displacement of [3H]-DAMGO from rat brain membrane binding site


J Med Chem 37: 1136-44 (1994)


Article DOI: 10.1021/jm00034a011
BindingDB Entry DOI: 10.7270/Q22Z1650
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50080453
PNG
((S)-2-({2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C39H45N5O4/c1-25-17-32(45)18-26(2)33(25)22-34(40)39(48)44-24-30-16-10-9-15-29(30)21-31(44)23-42-36(20-28-13-7-4-8-14-28)38(47)43-35(37(41)46)19-27-11-5-3-6-12-27/h3-18,31,34-36,42,45H,19-24,40H2,1-2H3,(H2,41,46)(H,43,47)/t31?,34-,35-,36-/m0/s1
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0.940n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
. Binding affinity for Opioid receptor mu 1 determined by displacing [3H]-DAMGO from rat brain membrane binding sites


J Med Chem 42: 3520-6 (1999)


Article DOI: 10.1021/jm980724+
BindingDB Entry DOI: 10.7270/Q2SJ1JT1
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50401036
PNG
(CHEMBL2206324)
Show SMILES N[C@@H](Cc1ccc(cc1)C(N)=O)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C38H39N5O6/c39-30(19-26-15-17-27(18-16-26)34(40)44)37(47)43-23-29-14-8-7-13-28(29)22-33(43)36(46)41-31(20-24-9-3-1-4-10-24)35(45)42-32(38(48)49)21-25-11-5-2-6-12-25/h1-18,30-33H,19-23,39H2,(H2,40,44)(H,41,46)(H,42,45)(H,48,49)/t30-,31-,32-,33?/m0/s1
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0.978n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs


Bioorg Med Chem Lett 22: 1899-902 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.063
BindingDB Entry DOI: 10.7270/Q22N53D9
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50007327
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C28H36N6O6/c29-20(15-18-8-10-19(35)11-9-18)26(38)33-22-7-4-14-31-24(36)13-12-21(25(30)37)32-28(40)23(34-27(22)39)16-17-5-2-1-3-6-17/h1-3,5-6,8-11,20-23,35H,4,7,12-16,29H2,(H2,30,37)(H,31,36)(H,32,40)(H,33,38)(H,34,39)/t20-,21-,22+,23-/m0/s1
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0.981n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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


J Med Chem 34: 3125-32 (1991)


Article DOI: 10.1021/jm00114a023
BindingDB Entry DOI: 10.7270/Q2R49PQX
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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1n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by PDSP Ki Database




Eur J Med Chem 35: 895-901 (2000)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q23X856N
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50198752
PNG
(CHEMBL3976694)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C32H46N8O5/c1-19-15-22(41)16-20(2)23(19)18-27-31(45)38-25(12-8-14-36-32(34)35)29(43)39-26(17-21-9-4-3-5-10-21)30(44)37-24(28(42)40-27)11-6-7-13-33/h3-5,9-10,15-16,24-27,41H,6-8,11-14,17-18,33H2,1-2H3,(H,37,44)(H,38,45)(H,39,43)(H,40,42)(H4,34,35,36)/t24-,25+,26-,27-/m1/s1
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1n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in rat brain membrane measured after 2 hrs


J Med Chem 59: 9243-9254 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01200
BindingDB Entry DOI: 10.7270/Q23B623F
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50401031
PNG
(CHEMBL2206330)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc2ccccc2c1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C50H49N5O6/c51-42(28-35-20-23-38(24-21-35)46(56)52-26-25-36-19-22-37-15-7-8-16-39(37)27-36)49(59)55-32-41-18-10-9-17-40(41)31-45(55)48(58)53-43(29-33-11-3-1-4-12-33)47(57)54-44(50(60)61)30-34-13-5-2-6-14-34/h1-24,27,42-45H,25-26,28-32,51H2,(H,52,56)(H,53,58)(H,54,57)(H,60,61)/t42-,43-,44-,45?/m0/s1
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1.01n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs


Bioorg Med Chem Lett 22: 1899-902 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.063
BindingDB Entry DOI: 10.7270/Q22N53D9
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50205828
PNG
(CHEMBL220219 | CHEMBL373796 | H-Tyr-c[D-Allylgly-G...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1S/C28H34N6O6/c29-20(14-18-10-12-19(35)13-11-18)26(38)34-22-9-5-4-8-21(25(30)37)33-28(40)23(15-17-6-2-1-3-7-17)32-24(36)16-31-27(22)39/h1-7,10-13,20-23,35H,8-9,14-16,29H2,(H2,30,37)(H,31,39)(H,32,36)(H,33,40)(H,34,38)/t20-,21+,22+,23-/m0/s1
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1.05n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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


J Med Chem 50: 1414-7 (2007)


Article DOI: 10.1021/jm061294n
BindingDB Entry DOI: 10.7270/Q22F7N41
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50205833
PNG
(CHEMBL222830 | H-Tyr-c[D-Allylgly-Gly-Phe-D-Allylg...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1S/C28H36N6O6/c29-20(14-18-10-12-19(35)13-11-18)26(38)34-22-9-5-4-8-21(25(30)37)33-28(40)23(15-17-6-2-1-3-7-17)32-24(36)16-31-27(22)39/h1-3,6-7,10-13,20-23,35H,4-5,8-9,14-16,29H2,(H2,30,37)(H,31,39)(H,32,36)(H,33,40)(H,34,38)/t20-,21+,22+,23-/m0/s1
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1.17n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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


J Med Chem 50: 1414-7 (2007)


Article DOI: 10.1021/jm061294n
BindingDB Entry DOI: 10.7270/Q22F7N41
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50016862
PNG
(5-Amino-2-(2-{2-[2-amino-3-(4-hydroxy-phenyl)-prop...)
Show SMILES CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(N)=O
Show InChI InChI=1S/C28H40N6O5/c1-2-7-23(33-26(37)21(30)16-19-11-13-20(35)14-12-19)27(38)34-24(17-18-8-4-3-5-9-18)28(39)32-22(25(31)36)10-6-15-29/h3-5,8-9,11-14,21-24,35H,2,6-7,10,15-17,29-30H2,1H3,(H2,31,36)(H,32,39)(H,33,37)(H,34,38)/t21-,22-,23+,24-/m0/s1
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1.17n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor by displacement of radioligand [3H]-DAGO in rat brain membrane


J Med Chem 32: 698-703 (1989)


Article DOI: 10.1021/jm00123a035
BindingDB Entry DOI: 10.7270/Q29W0DGM
More data for this
Ligand-Target Pair
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