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PubMed code 21866885

Compile data set for download or QSAR
Found 71 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 |r|
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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0.0800n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human DOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50354571
PNG
(CHEMBL1834410)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C30H43NO4/c1-26(2,3)17-27(4,33)21-15-28-10-11-30(21,34-5)25-29(28)12-13-31(16-18-6-7-18)22(28)14-19-8-9-20(32)24(35-25)23(19)29/h8-9,18,21-22,25,32-33H,6-7,10-17H2,1-5H3/t21-,22-,25-,27-,28-,29+,30-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human DOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50026603
PNG
(BUPRENORPHINE | Buprenorphine | CHEBI:3216)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19|
Show InChI InChI=1/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/s2
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1.5n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50354571
PNG
(CHEMBL1834410)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C30H43NO4/c1-26(2,3)17-27(4,33)21-15-28-10-11-30(21,34-5)25-29(28)12-13-31(16-18-6-7-18)22(28)14-19-8-9-20(32)24(35-25)23(19)29/h8-9,18,21-22,25,32-33H,6-7,10-17H2,1-5H3/t21-,22-,25-,27-,28-,29+,30-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50354570
PNG
(CHEMBL1834409)
Show SMILES CCC(C)(C)[C@](C)(O)[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r|
Show InChI InChI=1S/C30H43NO4/c1-6-26(2,3)27(4,33)21-16-28-11-12-30(21,34-5)25-29(28)13-14-31(17-18-7-8-18)22(28)15-19-9-10-20(32)24(35-25)23(19)29/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22-,25-,27-,28-,29+,30-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human DOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50354570
PNG
(CHEMBL1834409)
Show SMILES CCC(C)(C)[C@](C)(O)[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r|
Show InChI InChI=1S/C30H43NO4/c1-6-26(2,3)27(4,33)21-16-28-11-12-30(21,34-5)25-29(28)13-14-31(17-18-7-8-18)22(28)15-19-9-10-20(32)24(35-25)23(19)29/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22-,25-,27-,28-,29+,30-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50354572
PNG
(CHEMBL1834411)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C35H45NO4/c1-31(2,24-8-6-5-7-9-24)21-32(3,38)26-19-33-14-15-35(26,39-4)30-34(33)16-17-36(20-22-10-11-22)27(33)18-23-12-13-25(37)29(40-30)28(23)34/h5-9,12-13,22,26-27,30,37-38H,10-11,14-21H2,1-4H3/t26-,27-,30-,32-,33-,34+,35-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50026603
PNG
(BUPRENORPHINE | Buprenorphine | CHEBI:3216)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19|
Show InChI InChI=1/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/s2
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2.5n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50354573
PNG
(CHEMBL1834412)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)c1ccc(cc1)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:31.30:4.3|
Show InChI InChI=1S/C35H45NO4/c1-31(2,3)23-9-11-24(12-10-23)32(4,38)26-19-33-14-15-35(26,39-5)30-34(33)16-17-36(20-21-6-7-21)27(33)18-22-8-13-25(37)29(40-30)28(22)34/h8-13,21,26-27,30,37-38H,6-7,14-20H2,1-5H3/t26-,27-,30-,32+,33-,34+,35-/m1/s1
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3n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human DOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50354571
PNG
(CHEMBL1834410)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C30H43NO4/c1-26(2,3)17-27(4,33)21-15-28-10-11-30(21,34-5)25-29(28)12-13-31(16-18-6-7-18)22(28)14-19-8-9-20(32)24(35-25)23(19)29/h8-9,18,21-22,25,32-33H,6-7,10-17H2,1-5H3/t21-,22-,25-,27-,28-,29+,30-/m1/s1
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3n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50354572
PNG
(CHEMBL1834411)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C35H45NO4/c1-31(2,24-8-6-5-7-9-24)21-32(3,38)26-19-33-14-15-35(26,39-4)30-34(33)16-17-36(20-22-10-11-22)27(33)18-23-12-13-25(37)29(40-30)28(23)34/h5-9,12-13,22,26-27,30,37-38H,10-11,14-21H2,1-4H3/t26-,27-,30-,32-,33-,34+,35-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human DOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50354572
PNG
(CHEMBL1834411)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C35H45NO4/c1-31(2,24-8-6-5-7-9-24)21-32(3,38)26-19-33-14-15-35(26,39-4)30-34(33)16-17-36(20-22-10-11-22)27(33)18-23-12-13-25(37)29(40-30)28(23)34/h5-9,12-13,22,26-27,30,37-38H,10-11,14-21H2,1-4H3/t26-,27-,30-,32-,33-,34+,35-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50354570
PNG
(CHEMBL1834409)
Show SMILES CCC(C)(C)[C@](C)(O)[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r|
Show InChI InChI=1S/C30H43NO4/c1-6-26(2,3)27(4,33)21-16-28-11-12-30(21,34-5)25-29(28)13-14-31(17-18-7-8-18)22(28)15-19-9-10-20(32)24(35-25)23(19)29/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22-,25-,27-,28-,29+,30-/m1/s1
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5.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50354573
PNG
(CHEMBL1834412)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)c1ccc(cc1)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:31.30:4.3|
Show InChI InChI=1S/C35H45NO4/c1-31(2,3)23-9-11-24(12-10-23)32(4,38)26-19-33-14-15-35(26,39-5)30-34(33)16-17-36(20-21-6-7-21)27(33)18-22-8-13-25(37)29(40-30)28(22)34/h8-13,21,26-27,30,37-38H,6-7,14-20H2,1-5H3/t26-,27-,30-,32+,33-,34+,35-/m1/s1
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5.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50026603
PNG
(BUPRENORPHINE | Buprenorphine | CHEBI:3216)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19|
Show InChI InChI=1/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/s2
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6.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human DOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50354575
PNG
(CHEMBL1834414)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c5c(O[C@@H]2[C@@]35CCN1CC1CC1)c(O)cc4Br |r|
Show InChI InChI=1S/C29H40BrNO4/c1-25(2,3)26(4,33)20-14-27-8-9-29(20,34-5)24-28(27)10-11-31(15-16-6-7-16)21(27)12-17-18(30)13-19(32)23(35-24)22(17)28/h13,16,20-21,24,32-33H,6-12,14-15H2,1-5H3/t20-,21-,24-,26-,27-,28+,29-/m1/s1
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6.80n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human DOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50354574
PNG
(CHEMBL1834413)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:29.28:4.3,11:12:18:16.15|
Show InChI InChI=1S/C33H45NO4/c1-30(36,16-23-14-20-5-6-21(23)13-20)25-17-31-9-10-33(25,37-2)29-32(31)11-12-34(18-19-3-4-19)26(31)15-22-7-8-24(35)28(38-29)27(22)32/h7-8,19-21,23,25-26,29,35-36H,3-6,9-18H2,1-2H3/t20?,21?,23?,25-,26-,29-,30-,31-,32+,33-/m1/s1
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7.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human DOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50354570
PNG
(CHEMBL1834409)
Show SMILES CCC(C)(C)[C@](C)(O)[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r|
Show InChI InChI=1S/C30H43NO4/c1-6-26(2,3)27(4,33)21-16-28-11-12-30(21,34-5)25-29(28)13-14-31(17-18-7-8-18)22(28)15-19-9-10-20(32)24(35-25)23(19)29/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22-,25-,27-,28-,29+,30-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50354577
PNG
(CHEMBL1834416)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H40BrNO4/c1-25(2,3)26(4,33)19-14-27-8-9-29(19,34-5)24-28(27)10-11-31(15-16-6-7-16)20(27)13-17-12-18(30)22(32)23(35-24)21(17)28/h12,16,19-20,24,32-33H,6-11,13-15H2,1-5H3/t19-,20-,24-,26-,27-,28+,29-/m1/s1
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8.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human DOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50354573
PNG
(CHEMBL1834412)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)c1ccc(cc1)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:31.30:4.3|
Show InChI InChI=1S/C35H45NO4/c1-31(2,3)23-9-11-24(12-10-23)32(4,38)26-19-33-14-15-35(26,39-5)30-34(33)16-17-36(20-21-6-7-21)27(33)18-22-8-13-25(37)29(40-30)28(22)34/h8-13,21,26-27,30,37-38H,6-7,14-20H2,1-5H3/t26-,27-,30-,32+,33-,34+,35-/m1/s1
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8.90n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50354575
PNG
(CHEMBL1834414)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c5c(O[C@@H]2[C@@]35CCN1CC1CC1)c(O)cc4Br |r|
Show InChI InChI=1S/C29H40BrNO4/c1-25(2,3)26(4,33)20-14-27-8-9-29(20,34-5)24-28(27)10-11-31(15-16-6-7-16)21(27)12-17-18(30)13-19(32)23(35-24)22(17)28/h13,16,20-21,24,32-33H,6-12,14-15H2,1-5H3/t20-,21-,24-,26-,27-,28+,29-/m1/s1
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9.90n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50354574
PNG
(CHEMBL1834413)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:29.28:4.3,11:12:18:16.15|
Show InChI InChI=1S/C33H45NO4/c1-30(36,16-23-14-20-5-6-21(23)13-20)25-17-31-9-10-33(25,37-2)29-32(31)11-12-34(18-19-3-4-19)26(31)15-22-7-8-24(35)28(38-29)27(22)32/h7-8,19-21,23,25-26,29,35-36H,3-6,9-18H2,1-2H3/t20?,21?,23?,25-,26-,29-,30-,31-,32+,33-/m1/s1
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9.90n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50354577
PNG
(CHEMBL1834416)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H40BrNO4/c1-25(2,3)26(4,33)19-14-27-8-9-29(19,34-5)24-28(27)10-11-31(15-16-6-7-16)20(27)13-17-12-18(30)22(32)23(35-24)21(17)28/h12,16,19-20,24,32-33H,6-11,13-15H2,1-5H3/t19-,20-,24-,26-,27-,28+,29-/m1/s1
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11n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50354574
PNG
(CHEMBL1834413)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:29.28:4.3,11:12:18:16.15|
Show InChI InChI=1S/C33H45NO4/c1-30(36,16-23-14-20-5-6-21(23)13-20)25-17-31-9-10-33(25,37-2)29-32(31)11-12-34(18-19-3-4-19)26(31)15-22-7-8-24(35)28(38-29)27(22)32/h7-8,19-21,23,25-26,29,35-36H,3-6,9-18H2,1-2H3/t20?,21?,23?,25-,26-,29-,30-,31-,32+,33-/m1/s1
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11n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50354576
PNG
(CHEMBL1834415)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c5c(O[C@@H]2[C@@]35CCN1CC1CC1)c(O)cc4Cl |r|
Show InChI InChI=1S/C29H40ClNO4/c1-25(2,3)26(4,33)20-14-27-8-9-29(20,34-5)24-28(27)10-11-31(15-16-6-7-16)21(27)12-17-18(30)13-19(32)23(35-24)22(17)28/h13,16,20-21,24,32-33H,6-12,14-15H2,1-5H3/t20-,21-,24-,26-,27-,28+,29-/m1/s1
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13n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50354575
PNG
(CHEMBL1834414)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c5c(O[C@@H]2[C@@]35CCN1CC1CC1)c(O)cc4Br |r|
Show InChI InChI=1S/C29H40BrNO4/c1-25(2,3)26(4,33)20-14-27-8-9-29(20,34-5)24-28(27)10-11-31(15-16-6-7-16)21(27)12-17-18(30)13-19(32)23(35-24)22(17)28/h13,16,20-21,24,32-33H,6-12,14-15H2,1-5H3/t20-,21-,24-,26-,27-,28+,29-/m1/s1
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14n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50354574
PNG
(CHEMBL1834413)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:29.28:4.3,11:12:18:16.15|
Show InChI InChI=1S/C33H45NO4/c1-30(36,16-23-14-20-5-6-21(23)13-20)25-17-31-9-10-33(25,37-2)29-32(31)11-12-34(18-19-3-4-19)26(31)15-22-7-8-24(35)28(38-29)27(22)32/h7-8,19-21,23,25-26,29,35-36H,3-6,9-18H2,1-2H3/t20?,21?,23?,25-,26-,29-,30-,31-,32+,33-/m1/s1
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16n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50354576
PNG
(CHEMBL1834415)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c5c(O[C@@H]2[C@@]35CCN1CC1CC1)c(O)cc4Cl |r|
Show InChI InChI=1S/C29H40ClNO4/c1-25(2,3)26(4,33)20-14-27-8-9-29(20,34-5)24-28(27)10-11-31(15-16-6-7-16)21(27)12-17-18(30)13-19(32)23(35-24)22(17)28/h13,16,20-21,24,32-33H,6-12,14-15H2,1-5H3/t20-,21-,24-,26-,27-,28+,29-/m1/s1
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17n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human DOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50354571
PNG
(CHEMBL1834410)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C30H43NO4/c1-26(2,3)17-27(4,33)21-15-28-10-11-30(21,34-5)25-29(28)12-13-31(16-18-6-7-18)22(28)14-19-8-9-20(32)24(35-25)23(19)29/h8-9,18,21-22,25,32-33H,6-7,10-17H2,1-5H3/t21-,22-,25-,27-,28-,29+,30-/m1/s1
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19n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50354572
PNG
(CHEMBL1834411)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C35H45NO4/c1-31(2,24-8-6-5-7-9-24)21-32(3,38)26-19-33-14-15-35(26,39-4)30-34(33)16-17-36(20-22-10-11-22)27(33)18-23-12-13-25(37)29(40-30)28(23)34/h5-9,12-13,22,26-27,30,37-38H,10-11,14-21H2,1-4H3/t26-,27-,30-,32-,33-,34+,35-/m1/s1
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22n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50354577
PNG
(CHEMBL1834416)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H40BrNO4/c1-25(2,3)26(4,33)19-14-27-8-9-29(19,34-5)24-28(27)10-11-31(15-16-6-7-16)20(27)13-17-12-18(30)22(32)23(35-24)21(17)28/h12,16,19-20,24,32-33H,6-11,13-15H2,1-5H3/t19-,20-,24-,26-,27-,28+,29-/m1/s1
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36n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50354576
PNG
(CHEMBL1834415)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c5c(O[C@@H]2[C@@]35CCN1CC1CC1)c(O)cc4Cl |r|
Show InChI InChI=1S/C29H40ClNO4/c1-25(2,3)26(4,33)20-14-27-8-9-29(20,34-5)24-28(27)10-11-31(15-16-6-7-16)21(27)12-17-18(30)13-19(32)23(35-24)22(17)28/h13,16,20-21,24,32-33H,6-12,14-15H2,1-5H3/t20-,21-,24-,26-,27-,28+,29-/m1/s1
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46n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50354576
PNG
(CHEMBL1834415)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c5c(O[C@@H]2[C@@]35CCN1CC1CC1)c(O)cc4Cl |r|
Show InChI InChI=1S/C29H40ClNO4/c1-25(2,3)26(4,33)20-14-27-8-9-29(20,34-5)24-28(27)10-11-31(15-16-6-7-16)21(27)12-17-18(30)13-19(32)23(35-24)22(17)28/h13,16,20-21,24,32-33H,6-12,14-15H2,1-5H3/t20-,21-,24-,26-,27-,28+,29-/m1/s1
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68n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50026603
PNG
(BUPRENORPHINE | Buprenorphine | CHEBI:3216)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19|
Show InChI InChI=1/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/s2
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77n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50354573
PNG
(CHEMBL1834412)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)c1ccc(cc1)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:31.30:4.3|
Show InChI InChI=1S/C35H45NO4/c1-31(2,3)23-9-11-24(12-10-23)32(4,38)26-19-33-14-15-35(26,39-5)30-34(33)16-17-36(20-21-6-7-21)27(33)18-22-8-13-25(37)29(40-30)28(22)34/h8-13,21,26-27,30,37-38H,6-7,14-20H2,1-5H3/t26-,27-,30-,32+,33-,34+,35-/m1/s1
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133n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Kappa-type opioid 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 |r|
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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147n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50354577
PNG
(CHEMBL1834416)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H40BrNO4/c1-25(2,3)26(4,33)19-14-27-8-9-29(19,34-5)24-28(27)10-11-31(15-16-6-7-16)20(27)13-17-12-18(30)22(32)23(35-24)21(17)28/h12,16,19-20,24,32-33H,6-11,13-15H2,1-5H3/t19-,20-,24-,26-,27-,28+,29-/m1/s1
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159n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50354575
PNG
(CHEMBL1834414)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c5c(O[C@@H]2[C@@]35CCN1CC1CC1)c(O)cc4Br |r|
Show InChI InChI=1S/C29H40BrNO4/c1-25(2,3)26(4,33)20-14-27-8-9-29(20,34-5)24-28(27)10-11-31(15-16-6-7-16)21(27)12-17-18(30)13-19(32)23(35-24)22(17)28/h13,16,20-21,24,32-33H,6-12,14-15H2,1-5H3/t20-,21-,24-,26-,27-,28+,29-/m1/s1
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237n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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300n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human DOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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306n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Mu-type opioid 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 |r|
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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437n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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504n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Delta-type opioid 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 |r|
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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2.85E+3n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human DOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human DOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50354572
PNG
(CHEMBL1834411)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C35H45NO4/c1-31(2,24-8-6-5-7-9-24)21-32(3,38)26-19-33-14-15-35(26,39-4)30-34(33)16-17-36(20-22-10-11-22)27(33)18-23-12-13-25(37)29(40-30)28(23)34/h5-9,12-13,22,26-27,30,37-38H,10-11,14-21H2,1-4H3/t26-,27-,30-,32-,33-,34+,35-/m1/s1
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n/an/an/an/a 2.38E+3n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50354570
PNG
(CHEMBL1834409)
Show SMILES CCC(C)(C)[C@](C)(O)[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r|
Show InChI InChI=1S/C30H43NO4/c1-6-26(2,3)27(4,33)21-16-28-11-12-30(21,34-5)25-29(28)13-14-31(17-18-7-8-18)22(28)15-19-9-10-20(32)24(35-25)23(19)29/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22-,25-,27-,28-,29+,30-/m1/s1
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n/an/an/an/a 6n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human MOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50354574
PNG
(CHEMBL1834413)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:29.28:4.3,11:12:18:16.15|
Show InChI InChI=1S/C33H45NO4/c1-30(36,16-23-14-20-5-6-21(23)13-20)25-17-31-9-10-33(25,37-2)29-32(31)11-12-34(18-19-3-4-19)26(31)15-22-7-8-24(35)28(38-29)27(22)32/h7-8,19-21,23,25-26,29,35-36H,3-6,9-18H2,1-2H3/t20?,21?,23?,25-,26-,29-,30-,31-,32+,33-/m1/s1
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n/an/an/an/a 49n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human DOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50026603
PNG
(BUPRENORPHINE | Buprenorphine | CHEBI:3216)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19|
Show InChI InChI=1/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/s2
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n/an/an/an/a 10n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human MOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/an/a 6.90n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human DOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50354571
PNG
(CHEMBL1834410)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C30H43NO4/c1-26(2,3)17-27(4,33)21-15-28-10-11-30(21,34-5)25-29(28)12-13-31(16-18-6-7-18)22(28)14-19-8-9-20(32)24(35-25)23(19)29/h8-9,18,21-22,25,32-33H,6-7,10-17H2,1-5H3/t21-,22-,25-,27-,28-,29+,30-/m1/s1
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n/an/an/an/a 2.60n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human MOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Kappa-type opioid 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 |r|
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 79n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human KOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50354572
PNG
(CHEMBL1834411)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C35H45NO4/c1-31(2,24-8-6-5-7-9-24)21-32(3,38)26-19-33-14-15-35(26,39-4)30-34(33)16-17-36(20-22-10-11-22)27(33)18-23-12-13-25(37)29(40-30)28(23)34/h5-9,12-13,22,26-27,30,37-38H,10-11,14-21H2,1-4H3/t26-,27-,30-,32-,33-,34+,35-/m1/s1
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n/an/an/an/a 3.41E+3n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human DOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50354572
PNG
(CHEMBL1834411)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C35H45NO4/c1-31(2,24-8-6-5-7-9-24)21-32(3,38)26-19-33-14-15-35(26,39-4)30-34(33)16-17-36(20-22-10-11-22)27(33)18-23-12-13-25(37)29(40-30)28(23)34/h5-9,12-13,22,26-27,30,37-38H,10-11,14-21H2,1-4H3/t26-,27-,30-,32-,33-,34+,35-/m1/s1
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n/an/an/an/a 0.880n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human KOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50026603
PNG
(BUPRENORPHINE | Buprenorphine | CHEBI:3216)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19|
Show InChI InChI=1/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/s2
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n/an/an/an/a 116n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50354574
PNG
(CHEMBL1834413)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:29.28:4.3,11:12:18:16.15|
Show InChI InChI=1S/C33H45NO4/c1-30(36,16-23-14-20-5-6-21(23)13-20)25-17-31-9-10-33(25,37-2)29-32(31)11-12-34(18-19-3-4-19)26(31)15-22-7-8-24(35)28(38-29)27(22)32/h7-8,19-21,23,25-26,29,35-36H,3-6,9-18H2,1-2H3/t20?,21?,23?,25-,26-,29-,30-,31-,32+,33-/m1/s1
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n/an/an/an/a 111n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50354571
PNG
(CHEMBL1834410)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C30H43NO4/c1-26(2,3)17-27(4,33)21-15-28-10-11-30(21,34-5)25-29(28)12-13-31(16-18-6-7-18)22(28)14-19-8-9-20(32)24(35-25)23(19)29/h8-9,18,21-22,25,32-33H,6-7,10-17H2,1-5H3/t21-,22-,25-,27-,28-,29+,30-/m1/s1
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n/an/an/an/a 50n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human DOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50354574
PNG
(CHEMBL1834413)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:29.28:4.3,11:12:18:16.15|
Show InChI InChI=1S/C33H45NO4/c1-30(36,16-23-14-20-5-6-21(23)13-20)25-17-31-9-10-33(25,37-2)29-32(31)11-12-34(18-19-3-4-19)26(31)15-22-7-8-24(35)28(38-29)27(22)32/h7-8,19-21,23,25-26,29,35-36H,3-6,9-18H2,1-2H3/t20?,21?,23?,25-,26-,29-,30-,31-,32+,33-/m1/s1
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n/an/an/an/a 6.10n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human MOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50026603
PNG
(BUPRENORPHINE | Buprenorphine | CHEBI:3216)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19|
Show InChI InChI=1/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human KOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50354570
PNG
(CHEMBL1834409)
Show SMILES CCC(C)(C)[C@](C)(O)[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r|
Show InChI InChI=1S/C30H43NO4/c1-6-26(2,3)27(4,33)21-16-28-11-12-30(21,34-5)25-29(28)13-14-31(17-18-7-8-18)22(28)15-19-9-10-20(32)24(35-25)23(19)29/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22-,25-,27-,28-,29+,30-/m1/s1
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n/an/an/an/a 79n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
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 |r|
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 8.10n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50026603
PNG
(BUPRENORPHINE | Buprenorphine | CHEBI:3216)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19|
Show InChI InChI=1/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/s2
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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human DOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50354574
PNG
(CHEMBL1834413)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:29.28:4.3,11:12:18:16.15|
Show InChI InChI=1S/C33H45NO4/c1-30(36,16-23-14-20-5-6-21(23)13-20)25-17-31-9-10-33(25,37-2)29-32(31)11-12-34(18-19-3-4-19)26(31)15-22-7-8-24(35)28(38-29)27(22)32/h7-8,19-21,23,25-26,29,35-36H,3-6,9-18H2,1-2H3/t20?,21?,23?,25-,26-,29-,30-,31-,32+,33-/m1/s1
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n/an/an/an/a 5.30n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human KOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/an/a 35n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human MOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%