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Compile Data Set for Download or QSAR

Found 18328 hits Enz. Inhib. hit(s) with Target = '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
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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n/an/an/an/a 0n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221797
PNG
(CHEMBL274663)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C22H28N4O4/c1-15(26-22(30)19(23)13-17-7-9-18(27)10-8-17)21(29)25-14-20(28)24-12-11-16-5-3-2-4-6-16/h2-10,15,19,27H,11-14,23H2,1H3,(H,24,28)(H,25,29)(H,26,30)/t15-,19-/m0/s1
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n/an/an/an/a 0n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221799
PNG
(CHEMBL2369922)
Show SMILES CC(C)[C@H](NC(=O)[C@](C)(Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)24(27(39)40)33-28(41)29(4,15-20-8-6-5-7-9-20)34-23(36)16-31-25(37)18(3)32-26(38)22(30)14-19-10-12-21(35)13-11-19/h5-13,17-18,22,24,35H,14-16,30H2,1-4H3,(H,31,37)(H,32,38)(H,33,41)(H,34,36)(H,39,40)/t18-,22+,24+,29+/m1/s1
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n/an/an/an/a 0n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221793
PNG
(CHEMBL2369921)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C23H28N4O4/c1-14(26-23(31)19(24)12-15-6-9-17(28)10-7-15)22(30)25-13-21(29)27-20-11-8-16-4-2-3-5-18(16)20/h2-7,9-10,14,19-20,28H,8,11-13,24H2,1H3,(H,25,30)(H,26,31)(H,27,29)/t14-,19+,20?/m1/s1
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n/an/an/an/a 0n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221788
PNG
(CHEMBL2369900)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C30H42N6O6S/c1-18(2)26(36-28(40)22(31)15-20-9-11-21(37)12-10-20)30(42)33-17-25(38)34-24(16-19-7-5-4-6-8-19)29(41)35-23(27(32)39)13-14-43-3/h4-12,18,22-24,26,37H,13-17,31H2,1-3H3,(H2,32,39)(H,33,42)(H,34,38)(H,35,41)(H,36,40)/t22-,23+,24+,26-/m0/s1
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n/an/an/an/a 0n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221789
PNG
(CHEMBL14570)
Show SMILES CC(C)C[C@@H](NC(=O)[C@](C)(Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C30H41N5O7/c1-18(2)14-24(28(40)41)34-29(42)30(4,16-21-8-6-5-7-9-21)35-25(37)17-32-26(38)19(3)33-27(39)23(31)15-20-10-12-22(36)13-11-20/h5-13,18-19,23-24,36H,14-17,31H2,1-4H3,(H,32,38)(H,33,39)(H,34,42)(H,35,37)(H,40,41)/t19-,23-,24+,30-/m0/s1
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n/an/an/an/a 0n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221792
PNG
(CHEMBL14211)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NCc1ccccc1
Show InChI InChI=1S/C21H26N4O4/c1-14(25-21(29)18(22)11-15-7-9-17(26)10-8-15)20(28)24-13-19(27)23-12-16-5-3-2-4-6-16/h2-10,14,18,26H,11-13,22H2,1H3,(H,23,27)(H,24,28)(H,25,29)/t14-,18-/m0/s1
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n/an/an/an/a 0n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-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=1/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-/s2
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n/an/an/an/a 0n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221804
PNG
(CHEMBL13834)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H25N3O6/c1-14(25-21(29)18(23)11-15-7-9-17(26)10-8-15)20(28)24-12-19(27)22(30)31-13-16-5-3-2-4-6-16/h2-10,14,18,26H,11-13,23H2,1H3,(H,24,28)(H,25,29)/t14-,18-/m0/s1
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n/an/an/an/a 0.00000100n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221802
PNG
(CHEMBL13767)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H45N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h9-12,17-19,22-24,35H,4-8,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22-,23-,24-/m0/s1
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n/an/an/an/a 0.00000100n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221794
PNG
(CHEMBL13688)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NCC1CC1
Show InChI InChI=1S/C18H26N4O4/c1-11(17(25)21-10-16(24)20-9-13-2-3-13)22-18(26)15(19)8-12-4-6-14(23)7-5-12/h4-7,11,13,15,23H,2-3,8-10,19H2,1H3,(H,20,24)(H,21,25)(H,22,26)/t11-,15-/m0/s1
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n/an/an/an/a 0.00000200n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221790
PNG
(CHEMBL274575)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NCC1CCC1
Show InChI InChI=1S/C19H28N4O4/c1-12(18(26)22-11-17(25)21-10-14-3-2-4-14)23-19(27)16(20)9-13-5-7-15(24)8-6-13/h5-8,12,14,16,24H,2-4,9-11,20H2,1H3,(H,21,25)(H,22,26)(H,23,27)/t12-,16-/m0/s1
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n/an/an/an/a 0.00000200n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221801
PNG
(CHEMBL2369909)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C25H32N4O4/c1-15(2)23(29-24(32)20(26)13-16-7-10-18(30)11-8-16)25(33)27-14-22(31)28-21-12-9-17-5-3-4-6-19(17)21/h3-8,10-11,15,20-21,23,30H,9,12-14,26H2,1-2H3,(H,27,33)(H,28,31)(H,29,32)/t20-,21?,23-/m0/s1
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n/an/an/an/a 0.00000500n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221800
PNG
(CHEMBL13713)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C23H28N4O4/c1-14(26-23(31)20(24)10-15-6-8-19(28)9-7-15)22(30)25-13-21(29)27-18-11-16-4-2-3-5-17(16)12-18/h2-9,14,18,20,28H,10-13,24H2,1H3,(H,25,30)(H,26,31)(H,27,29)/t14-,20-/m0/s1
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n/an/an/an/a 0.0000190n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221791
PNG
(CHEMBL273288)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C22H26N4O4/c23-18(11-14-5-8-16(27)9-6-14)22(30)25-12-20(28)24-13-21(29)26-19-10-7-15-3-1-2-4-17(15)19/h1-6,8-9,18-19,27H,7,10-13,23H2,(H,24,28)(H,25,30)(H,26,29)/t18-,19?/m0/s1
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n/an/an/an/a 0.0000340n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221795
PNG
(CHEMBL13665)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@](C)(N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C30H41N5O7/c1-18(2)14-24(28(40)41)35-27(39)23(15-20-8-6-5-7-9-20)34-25(37)17-32-26(38)19(3)33-29(42)30(4,31)16-21-10-12-22(36)13-11-21/h5-13,18-19,23-24,36H,14-17,31H2,1-4H3,(H,32,38)(H,33,42)(H,34,37)(H,35,39)(H,40,41)/t19-,23+,24+,30+/m0/s1
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n/an/an/an/a>0.000650n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221803
PNG
(CHEMBL274367)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C14H19N3O5/c1-8(13(21)16-7-12(19)20)17-14(22)11(15)6-9-2-4-10(18)5-3-9/h2-5,8,11,18H,6-7,15H2,1H3,(H,16,21)(H,17,22)(H,19,20)/t8-,11-/m0/s1
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n/an/an/an/a 0.000700n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50221796
PNG
(CHEMBL2369920)
Show SMILES CCOC(=O)CC[C@H](N)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C27H41N5O8/c1-5-40-23(34)12-11-19(28)25(36)30-17(4)24(35)29-15-22(33)31-20(14-18-9-7-6-8-10-18)26(37)32-21(27(38)39)13-16(2)3/h6-10,16-17,19-21H,5,11-15,28H2,1-4H3,(H,29,35)(H,30,36)(H,31,33)(H,32,37)(H,38,39)/t17-,19+,20+,21-/m1/s1
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n/an/an/an/a 0.000760n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM29135
PNG
(CHEMBL11608 | cid_5610 | p-Tyramine | tyramine)
Show SMILES NCCc1ccc(O)cc1
Show InChI InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
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n/an/an/an/a>0.00100n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl


J Med Chem 23: 1113-22 (1980)


Article DOI: 10.1021/jm00184a010
BindingDB Entry DOI: 10.7270/Q2639RX4
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50274679
PNG
(CHEMBL4128530)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N(C)[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O
Show InChI InChI=1S/C28H37N5O5/c1-6-19-9-7-8-10-20(19)13-24(27(37)31-15-25(30)35)33(5)28(38)18(4)32-26(36)23(29)14-22-16(2)11-21(34)12-17(22)3/h6-12,18,23-24,34H,1,13-15,29H2,2-5H3,(H2,30,35)(H,31,37)(H,32,36)/t18-,23+,24+/m1/s1
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n/an/an/an/a 0.00300n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Tested for thromboxane antagonist potency (pA2) against U 44619 induced platelet aggregation using human platelet rich plasma


Bioorg Med Chem Lett 28: 2320-2323 (2018)

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


(Rattus norvegicus (rat))
BDBM50274694
PNG
(CHEMBL4129901)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O
Show InChI InChI=1S/C27H35N5O5/c1-5-18-8-6-7-9-19(18)12-23(27(37)30-14-24(29)34)32-25(35)17(4)31-26(36)22(28)13-21-15(2)10-20(33)11-16(21)3/h5-11,17,22-23,33H,1,12-14,28H2,2-4H3,(H2,29,34)(H,30,37)(H,31,36)(H,32,35)/t17-,22+,23+/m1/s1
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n/an/an/an/a 0.00600n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat mu-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-ind...


Bioorg Med Chem Lett 28: 2320-2323 (2018)

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


(Rattus norvegicus (rat))
BDBM50274686
PNG
(CHEMBL4129679)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C28H39N7O6/c1-16-11-19(36)12-17(2)20(16)14-21(29)25(39)34-22(9-6-10-32-28(30)31)27(41)35-23(26(40)33-15-24(37)38)13-18-7-4-3-5-8-18/h3-5,7-8,11-12,21-23,36H,6,9-10,13-15,29H2,1-2H3,(H,33,40)(H,34,39)(H,35,41)(H,37,38)(H4,30,31,32)/t21-,22+,23-/m0/s1
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n/an/an/an/a 0.00800n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat mu-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-ind...


Bioorg Med Chem Lett 28: 2320-2323 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/an/an/a<0.0100n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor expressed in CHO cells assessed as release of intracellular calcium ions by aequorin luminescence-based ...


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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/an/an/a<0.0100n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at delta opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay


J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50274696
PNG
(CHEMBL4126102)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O
Show InChI InChI=1S/C30H42N8O5/c1-4-19-8-5-6-9-20(19)14-25(28(42)36-16-26(32)40)38-29(43)24(10-7-11-35-30(33)34)37-27(41)23(31)15-22-17(2)12-21(39)13-18(22)3/h4-6,8-9,12-13,23-25,39H,1,7,10-11,14-16,31H2,2-3H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H4,33,34,35)/t23-,24+,25-/m0/s1
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n/an/an/an/a 0.0120n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat mu-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-ind...


Bioorg Med Chem Lett 28: 2320-2323 (2018)

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


(Rattus norvegicus (rat))
BDBM50274689
PNG
(CHEMBL4126050)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C25H32N4O6/c1-14-9-18(30)10-15(2)19(14)12-20(26)24(34)28-16(3)23(33)29-21(25(35)27-13-22(31)32)11-17-7-5-4-6-8-17/h4-10,16,20-21,30H,11-13,26H2,1-3H3,(H,27,35)(H,28,34)(H,29,33)(H,31,32)/t16-,20+,21+/m1/s1
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n/an/an/an/a 0.0120n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat mu-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-ind...


Bioorg Med Chem Lett 28: 2320-2323 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50393257
PNG
(CHEMBL2151735)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)12-22(28)26(36)31(4)17(3)25(35)30-23-11-18-7-5-6-8-19(18)13-32(27(23)37)14-24(29)34/h5-10,17,22-23,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,35)/t17-,22+,23+/s2
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n/an/an/an/a 0.0160n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
BindingDB Entry DOI: 10.7270/Q25X2B1T
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50294426
PNG
(CHEMBL559518 | SN-11)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1/C27H28N2O/c30-21-8-7-18-13-26-23-12-20-11-19-3-1-2-4-24(19)28-25(20)15-27(23,22(18)14-21)9-10-29(26)16-17-5-6-17/h1-4,7-8,11,14,17,23,26,30H,5-6,9-10,12-13,15-16H2/t23-,26+,27+/s2
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n/an/an/an/a 0.0180n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 2792-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.099
BindingDB Entry DOI: 10.7270/Q24F1RPS
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50294426
PNG
(CHEMBL559518 | SN-11)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1/C27H28N2O/c30-21-8-7-18-13-26-23-12-20-11-19-3-1-2-4-24(19)28-25(20)15-27(23,22(18)14-21)9-10-29(26)16-17-5-6-17/h1-4,7-8,11,14,17,23,26,30H,5-6,9-10,12-13,15-16H2/t23-,26+,27+/s2
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n/an/an/an/a 0.0180n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50304490
PNG
(CHEMBL611926 | H-Tyr-c[D-Cys-Gly-Phe-Nle-Pro-Cys]-...)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1/C57H64F6N10O9S2/c1-2-3-13-42-55(82)73-20-9-15-47(73)54(81)72-46(53(80)70-44(25-35-28-65-41-14-8-7-12-39(35)41)50(77)66-27-34-21-36(56(58,59)60)26-37(22-34)57(61,62)63)31-84-83-30-45(71-49(76)40(64)23-33-16-18-38(74)19-17-33)51(78)67-29-48(75)68-43(52(79)69-42)24-32-10-5-4-6-11-32/h4-8,10-12,14,16-19,21-22,26,28,40,42-47,65,74H,2-3,9,13,15,20,23-25,27,29-31,64H2,1H3,(H,66,77)(H,67,78)(H,68,75)(H,69,79)(H,70,80)(H,71,76)(H,72,81)/t40-,42-,43-,44-,45+,46-,47-/s2
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n/an/an/an/a 0.0200n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in HN9.10 cells assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem 17: 7337-43 (2009)


Article DOI: 10.1016/j.bmc.2009.08.035
BindingDB Entry DOI: 10.7270/Q2CJ8DK5
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50274697
PNG
(CHEMBL4129689)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1-c1ccsc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C32H42N8O5S/c1-18-12-22(41)13-19(2)24(18)15-25(33)29(43)39-26(8-5-10-37-32(35)36)31(45)40-27(30(44)38-16-28(34)42)14-20-6-3-4-7-23(20)21-9-11-46-17-21/h3-4,6-7,9,11-13,17,25-27,41H,5,8,10,14-16,33H2,1-2H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t25-,26+,27-/m0/s1
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n/an/an/an/a 0.0400n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat mu-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-ind...


Bioorg Med Chem Lett 28: 2320-2323 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50294428
PNG
(CHEMBL552308 | SN-28)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc31
Show InChI InChI=1/C24H24N2O/c1-26-9-8-24-14-22-17(10-16-4-2-3-5-21(16)25-22)11-20(24)23(26)12-15-6-7-18(27)13-19(15)24/h2-7,10,13,20,23,27H,8-9,11-12,14H2,1H3/t20-,23+,24+/s2
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n/an/an/an/a 0.0470n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 2792-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.099
BindingDB Entry DOI: 10.7270/Q24F1RPS
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50294428
PNG
(CHEMBL552308 | SN-28)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc31
Show InChI InChI=1/C24H24N2O/c1-26-9-8-24-14-22-17(10-16-4-2-3-5-21(16)25-22)11-20(24)23(26)12-15-6-7-18(27)13-19(15)24/h2-7,10,13,20,23,27H,8-9,11-12,14H2,1H3/t20-,23+,24+/s2
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n/an/an/an/a 0.0470n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50294427
PNG
(CHEMBL564538 | SN-23)
Show SMILES CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc31
Show InChI InChI=1/C27H30N2O/c1-17(2)16-29-10-9-27-15-25-20(11-19-5-3-4-6-24(19)28-25)12-23(27)26(29)13-18-7-8-21(30)14-22(18)27/h3-8,11,14,17,23,26,30H,9-10,12-13,15-16H2,1-2H3/t23-,26+,27+/s2
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Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 2792-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.099
BindingDB Entry DOI: 10.7270/Q24F1RPS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50334990
PNG
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
Show InChI InChI=1/C46H53ClN6O6/c1-4-43(56)53(35-12-6-5-7-13-35)36-18-20-51(21-19-36)46(59)40(24-31-14-16-34(47)17-15-31)50-42(55)27-49-44(57)41-25-32-10-8-9-11-33(32)28-52(41)45(58)39(48)26-38-29(2)22-37(54)23-30(38)3/h5-17,22-23,36,39-41,54H,4,18-21,24-28,48H2,1-3H3,(H,49,57)(H,50,55)/t39-,40-,41+/s2
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University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 54: 382-6 (2011)


Article DOI: 10.1021/jm100982d
BindingDB Entry DOI: 10.7270/Q2N29XWF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50121247
PNG
(CHEMBL414542 | F-G-G-F-T-G-Aib-R-K-S-A-R-K-L-A-N-Q...)
Show SMILES CC[C@H](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](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C80H132N28O21/c1-7-49(98-63(115)40-95-78(129)64(45(6)110)108-76(127)56(36-47-22-12-9-13-23-47)99-62(114)39-93-61(113)38-94-68(119)48(83)35-46-20-10-8-11-21-46)69(120)102-54(27-19-33-92-80(89)90)71(122)104-52(25-15-17-31-82)73(124)107-58(41-109)77(128)97-43(4)66(117)101-53(26-18-32-91-79(87)88)70(121)103-51(24-14-16-30-81)72(123)106-55(34-42(2)3)74(125)96-44(5)67(118)105-57(37-60(85)112)75(126)100-50(65(86)116)28-29-59(84)111/h8-13,20-23,42-45,48-58,64,109-110H,7,14-19,24-41,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,119)(H,95,129)(H,96,125)(H,97,128)(H,98,115)(H,99,114)(H,100,126)(H,101,117)(H,102,120)(H,103,121)(H,104,122)(H,105,118)(H,106,123)(H,107,124)(H,108,127)(H4,87,88,91)(H4,89,90,92)/t43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
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n/an/an/an/a 0.0600n/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells


J Med Chem 45: 5280-6 (2002)


Article DOI: 10.1021/jm0202021
BindingDB Entry DOI: 10.7270/Q2474BKJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50334990
PNG
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
Show InChI InChI=1/C46H53ClN6O6/c1-4-43(56)53(35-12-6-5-7-13-35)36-18-20-51(21-19-36)46(59)40(24-31-14-16-34(47)17-15-31)50-42(55)27-49-44(57)41-25-32-10-8-9-11-33(32)28-52(41)45(58)39(48)26-38-29(2)22-37(54)23-30(38)3/h5-17,22-23,36,39-41,54H,4,18-21,24-28,48H2,1-3H3,(H,49,57)(H,50,55)/t39-,40-,41+/s2
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University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 54: 382-6 (2011)


Article DOI: 10.1021/jm100982d
BindingDB Entry DOI: 10.7270/Q2N29XWF
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50294427
PNG
(CHEMBL564538 | SN-23)
Show SMILES CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc31
Show InChI InChI=1/C27H30N2O/c1-17(2)16-29-10-9-27-15-25-20(11-19-5-3-4-6-24(19)28-25)12-23(27)26(29)13-18-7-8-21(30)14-22(18)27/h3-8,11,14,17,23,26,30H,9-10,12-13,15-16H2,1-2H3/t23-,26+,27+/s2
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Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50334995
PNG
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1
Show InChI InChI=1/C42H55FN6O6/c1-5-7-13-36(47-40(53)35(44)25-34-27(3)22-33(50)23-28(34)4)41(54)45-26-38(51)46-37(24-29-14-16-30(43)17-15-29)42(55)48-20-18-32(19-21-48)49(39(52)6-2)31-11-9-8-10-12-31/h8-12,14-17,22-23,32,35-37,50H,5-7,13,18-21,24-26,44H2,1-4H3,(H,45,54)(H,46,51)(H,47,53)/t35-,36+,37-/s2
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University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 54: 382-6 (2011)


Article DOI: 10.1021/jm100982d
BindingDB Entry DOI: 10.7270/Q2N29XWF
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50334994
PNG
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1
Show InChI InChI=1/C42H55ClN6O6/c1-5-7-13-36(47-40(53)35(44)25-34-27(3)22-33(50)23-28(34)4)41(54)45-26-38(51)46-37(24-29-14-16-30(43)17-15-29)42(55)48-20-18-32(19-21-48)49(39(52)6-2)31-11-9-8-10-12-31/h8-12,14-17,22-23,32,35-37,50H,5-7,13,18-21,24-26,44H2,1-4H3,(H,45,54)(H,46,51)(H,47,53)/t35-,36+,37-/s2
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University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 54: 382-6 (2011)


Article DOI: 10.1021/jm100982d
BindingDB Entry DOI: 10.7270/Q2N29XWF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM21842
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(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/an/an/a 0.0800n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for increase in [35S]GTP-gamma-S, binding for human ORL1 receptor carried out in CHO cell membranes ; Nd: no data


Bioorg Med Chem Lett 12: 3157-60 (2002)


Article DOI: 10.1016/s0960-894x(02)00652-2
BindingDB Entry DOI: 10.7270/Q2KK9C9R
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50121245
PNG
(CHEMBL266191 | F-G-G-F-T-G-Aib-R-K-S-Aib-R-K-L-A-N...)
Show SMILES CC[C@H](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](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C81H134N28O21/c1-7-49(98-64(116)41-96-79(130)65(45(6)111)109-77(128)57(37-47-23-13-10-14-24-47)99-63(115)40-94-62(114)39-95-68(119)48(84)36-46-21-11-9-12-22-46)69(120)102-54(27-19-33-92-80(88)89)71(122)105-53(26-16-18-32-83)74(125)108-59(42-110)78(129)100-50(8-2)70(121)103-55(28-20-34-93-81(90)91)72(123)104-52(25-15-17-31-82)73(124)107-56(35-43(3)4)75(126)97-44(5)67(118)106-58(38-61(86)113)76(127)101-51(66(87)117)29-30-60(85)112/h9-14,21-24,43-45,48-59,65,110-111H,7-8,15-20,25-42,82-84H2,1-6H3,(H2,85,112)(H2,86,113)(H2,87,117)(H,94,114)(H,95,119)(H,96,130)(H,97,126)(H,98,116)(H,99,115)(H,100,129)(H,101,127)(H,102,120)(H,103,121)(H,104,123)(H,105,122)(H,106,118)(H,107,124)(H,108,125)(H,109,128)(H4,88,89,92)(H4,90,91,93)/t44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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Purdue Pharma LP

Curated by ChEMBL


Assay Description
Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells


J Med Chem 45: 5280-6 (2002)


Article DOI: 10.1021/jm0202021
BindingDB Entry DOI: 10.7270/Q2474BKJ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50142622
PNG
(CHEMBL3758292)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26+/s2
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n/an/an/an/a 0.0813n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at human delta-opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Eur J Med Chem 108: 211-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.028
BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50334989
PNG
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
Show InChI InChI=1/C46H53FN6O6/c1-4-43(56)53(35-12-6-5-7-13-35)36-18-20-51(21-19-36)46(59)40(24-31-14-16-34(47)17-15-31)50-42(55)27-49-44(57)41-25-32-10-8-9-11-33(32)28-52(41)45(58)39(48)26-38-29(2)22-37(54)23-30(38)3/h5-17,22-23,36,39-41,54H,4,18-21,24-28,48H2,1-3H3,(H,49,57)(H,50,55)/t39-,40-,41+/s2
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University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 54: 382-6 (2011)


Article DOI: 10.1021/jm100982d
BindingDB Entry DOI: 10.7270/Q2N29XWF
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=1/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-/s2
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Purdue Pharma LP

Curated by ChEMBL


Assay Description
Agonist activity as stimulation of [35S]-GTP-gamma binding to human Opioid receptor like 1


Bioorg Med Chem Lett 14: 5045-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.001
BindingDB Entry DOI: 10.7270/Q2TM7BV8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50430610
PNG
(CHEMBL2338726)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1/C31H43NO4/c1-35-31-12-11-29(17-22(31)24(34)15-19-5-3-2-4-6-19)25-16-21-9-10-23(33)27-26(21)30(29,28(31)36-27)13-14-32(25)18-20-7-8-20/h9-10,19-20,22,24-25,28,33-34H,2-8,11-18H2,1H3/t22-,24+,25-,28-,29-,30+,31-/s2
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n/an/an/an/a 0.0940n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant MOR expressed in rat C6 cells assessed as stimulation of [35S]GTPgammaS binding after 1 hr


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50027230
PNG
(CHEMBL2113666)
Show SMILES CN1CC[C@]23[C@H]4Oc5cccc(C[C@@H]1[C@@]2(CCC4=O)NC(=O)\C=C\c1ccccc1Cl)c35
Show InChI InChI=1/C26H25ClN2O3/c1-29-14-13-25-23-17-6-4-8-20(23)32-24(25)19(30)11-12-26(25,21(29)15-17)28-22(31)10-9-16-5-2-3-7-18(16)27/h2-10,21,24H,11-15H2,1H3,(H,28,31)/b10-9+/t21-,24+,25+,26-/s2
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n/an/an/an/a 0.100n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S binding to human recombinant DOR


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50341314
PNG
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)
Show SMILES CCCC[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(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C62H76F6N10O9/c1-7-8-18-48(75-58(85)50(27-38-15-10-9-11-16-38)74-53(80)33-72-54(81)37(6)73-55(82)46(69)30-45-35(4)23-43(79)24-36(45)5)60(87)78-21-14-20-52(78)59(86)77-49(22-34(2)3)57(84)76-51(28-40-32-70-47-19-13-12-17-44(40)47)56(83)71-31-39-25-41(61(63,64)65)29-42(26-39)62(66,67)68/h9-13,15-17,19,23-26,29,32,34,37,46,48-52,70,79H,7-8,14,18,20-22,27-28,30-31,33,69H2,1-6H3,(H,71,83)(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,86)/t37-,46+,48+,49+,50+,51+,52+/s2
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n/an/an/an/a 0.100n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human opioid delta receptor expressed in mouse HN9.10 cells assessed as [35S]GTPgammaS binding


J Med Chem 54: 2029-38 (2011)


Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50274731
PNG
(CHEMBL4126322)
Show SMILES CC(C)=Cc1ccccc1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(N)=O
Show InChI InChI=1S/C32H46N8O5/c1-18(2)12-21-8-5-6-9-22(21)15-27(30(44)38-17-28(34)42)40-31(45)26(10-7-11-37-32(35)36)39-29(43)25(33)16-24-19(3)13-23(41)14-20(24)4/h5-6,8-9,12-14,25-27,41H,7,10-11,15-17,33H2,1-4H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t25-,26+,27-/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat mu-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-ind...


Bioorg Med Chem Lett 28: 2320-2323 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50334991
PNG
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1
Show InChI InChI=1/C42H56N6O6/c1-5-7-18-36(46-40(52)35(43)26-34-28(3)23-33(49)24-29(34)4)41(53)44-27-38(50)45-37(25-30-14-10-8-11-15-30)42(54)47-21-19-32(20-22-47)48(39(51)6-2)31-16-12-9-13-17-31/h8-17,23-24,32,35-37,49H,5-7,18-22,25-27,43H2,1-4H3,(H,44,53)(H,45,50)(H,46,52)/t35-,36+,37-/s2
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n/an/an/an/a 0.100n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 54: 382-6 (2011)


Article DOI: 10.1021/jm100982d
BindingDB Entry DOI: 10.7270/Q2N29XWF
More data for this
Ligand-Target Pair
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