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Compile Data Set for Download or QSAR

Found 560 hits with Last Name = 'mosberg' and Initial = 'h'   
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/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133884
PNG
(CHEMBL3634251)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(CC3CCCCC3)cc12 |r|
Show InChI InChI=1/C28H38N2O2/c1-18-13-23(31)14-19(2)24(18)17-26(29)28(32)30-27-10-6-9-22-12-11-21(16-25(22)27)15-20-7-4-3-5-8-20/h11-14,16,20,26-27,31H,3-10,15,17,29H2,1-2H3,(H,30,32)/t26-,27+/s2
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0.0120n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50299217
PNG
((5R,8S,11S,14S)-14-((S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C34H40N6O6S2/c35-25(15-23-11-13-24(41)14-12-23)31(43)40-29-19-48-20-47-18-28(30(36)42)39-33(45)27(17-22-9-5-2-6-10-22)37-32(44)26(38-34(29)46)16-21-7-3-1-4-8-21/h1-14,25-29,41H,15-20,35H2,(H2,36,42)(H,37,44)(H,38,46)(H,39,45)(H,40,43)/t25-,26-,27-,28-,29+/m0/s1
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0.0160n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells after 1 hr by liquid scintillation counting


J Med Chem 52: 7724-31 (2009)


Article DOI: 10.1021/jm9007483
BindingDB Entry DOI: 10.7270/Q2GQ6XTD
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133885
PNG
(CHEMBL3634250)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3CCCCC3)ccc12 |r|
Show InChI InChI=1/C29H39N3O3/c1-18-13-23(34)14-19(2)24(18)17-26(30)29(35)31-27-11-12-32(20(3)33)28-10-9-22(16-25(27)28)15-21-7-5-4-6-8-21/h9-10,13-14,16,21,26-27,34H,4-8,11-12,15,17,30H2,1-3H3,(H,31,35)/t26-,27+/s2
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0.0300n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133890
PNG
(CHEMBL3634258)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3CCc4ccccc34)ccc12 |r|
Show InChI InChI=1/C32H37N3O3/c1-19-14-25(37)15-20(2)27(19)18-29(33)32(38)34-30-12-13-35(21(3)36)31-11-8-22(17-28(30)31)16-24-10-9-23-6-4-5-7-26(23)24/h4-8,11,14-15,17,24,29-30,37H,9-10,12-13,16,18,33H2,1-3H3,(H,34,38)/t24?,29-,30+/s2
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0.0300n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133896
PNG
(CHEMBL3634252)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r|
Show InChI InChI=1/C33H35N3O3/c1-20-14-27(38)15-21(2)28(20)19-30(34)33(39)35-31-12-13-36(22(3)37)32-11-9-24(18-29(31)32)16-23-8-10-25-6-4-5-7-26(25)17-23/h4-11,14-15,17-18,30-31,38H,12-13,16,19,34H2,1-3H3,(H,35,39)/t30-,31+/s2
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0.0400n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133886
PNG
(CHEMBL3634249)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCCCC3)cc12 |r|
Show InChI InChI=1/C27H37N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h8-9,12-13,15,19,24,26,29,31H,3-7,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/s2
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0.0430n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50015003
PNG
(CHEMBL3262089 | US9259422, 7a, R = Ph-BU127 | US94...)
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)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C31H37NO4/c1-28(34,21-6-4-3-5-7-21)23-17-29-12-13-31(23,35-2)27-30(29)14-15-32(18-19-8-9-19)24(29)16-20-10-11-22(33)26(36-27)25(20)30/h3-7,10-11,19,23-24,27,33-34H,8-9,12-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1
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0.0440n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133887
PNG
(CHEMBL3634248)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C28H32N2O2/c1-18-13-23(31)14-19(2)24(18)17-26(29)28(32)30-27-10-6-9-22-12-11-21(16-25(22)27)15-20-7-4-3-5-8-20/h3-5,7-8,11-14,16,26-27,31H,6,9-10,15,17,29H2,1-2H3,(H,30,32)/t26-,27+/s2
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0.0450n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133892
PNG
(CHEMBL3634256)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3Cc4ccccc4C3)ccc12 |r|
Show InChI InChI=1/C32H37N3O3/c1-19-12-26(37)13-20(2)27(19)18-29(33)32(38)34-30-10-11-35(21(3)36)31-9-8-22(17-28(30)31)14-23-15-24-6-4-5-7-25(24)16-23/h4-9,12-13,17,23,29-30,37H,10-11,14-16,18,33H2,1-3H3,(H,34,38)/t29-,30+/s2
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0.0500n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133891
PNG
(CHEMBL3634257)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCc4ccccc34)cc12 |r|
Show InChI InChI=1/C30H35N3O2/c1-18-13-23(34)14-19(2)25(18)17-27(31)30(35)33-29-11-12-32-28-10-7-20(16-26(28)29)15-22-9-8-21-5-3-4-6-24(21)22/h3-7,10,13-14,16,22,27,29,32,34H,8-9,11-12,15,17,31H2,1-2H3,(H,33,35)/t22?,27-,29+/s2
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0.0500n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133895
PNG
(CHEMBL3634253)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3ccc4ccccc4c3)cc12 |r|
Show InChI InChI=1/C32H34N2O2/c1-20-14-27(35)15-21(2)28(20)19-30(33)32(36)34-31-9-5-8-25-13-11-23(18-29(25)31)16-22-10-12-24-6-3-4-7-26(24)17-22/h3-4,6-7,10-15,17-18,30-31,35H,5,8-9,16,19,33H2,1-2H3,(H,34,36)/t30-,31+/s2
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0.0600n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133894
PNG
(CHEMBL3634254)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3cccc4ccccc34)ccc12 |r|
Show InChI InChI=1/C33H35N3O3/c1-20-15-26(38)16-21(2)28(20)19-30(34)33(39)35-31-13-14-36(22(3)37)32-12-11-23(18-29(31)32)17-25-9-6-8-24-7-4-5-10-27(24)25/h4-12,15-16,18,30-31,38H,13-14,17,19,34H2,1-3H3,(H,35,39)/t30-,31+/s2
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0.0600n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50427559
PNG
(CHEMBL2322562)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc12 |r|
Show InChI InChI=1S/C31H33N3O2/c1-19-13-25(35)14-20(2)26(19)18-28(32)31(36)34-30-11-12-33-29-10-8-22(17-27(29)30)15-21-7-9-23-5-3-4-6-24(23)16-21/h3-10,13-14,16-17,28,30,33,35H,11-12,15,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1
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0.0780n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50427559
PNG
(CHEMBL2322562)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc12 |r|
Show InChI InChI=1S/C31H33N3O2/c1-19-13-25(35)14-20(2)26(19)18-28(32)31(36)34-30-11-12-33-29-10-8-22(17-27(29)30)15-21-7-9-23-5-3-4-6-24(23)16-21/h3-10,13-14,16-17,28,30,33,35H,11-12,15,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1
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0.0780n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50299216
PNG
((4R,7S,10S,13S)-13-((S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C37H40N6O6S2/c38-28(17-23-13-15-26(44)16-14-23)34(46)43-32-21-51-50-20-31(33(39)45)42-35(47)29(18-22-7-2-1-3-8-22)40-36(48)30(41-37(32)49)19-25-11-6-10-24-9-4-5-12-27(24)25/h1-16,28-32,44H,17-21,38H2,(H2,39,45)(H,40,48)(H,41,49)(H,42,47)(H,43,46)/t28-,29-,30-,31-,32+/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells after 1 hr by liquid scintillation counting


J Med Chem 52: 7724-31 (2009)


Article DOI: 10.1021/jm9007483
BindingDB Entry DOI: 10.7270/Q2GQ6XTD
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185315
PNG
(CHEMBL3823958)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C34H35N3O3/c1-22-17-27(38)18-23(2)28(22)21-30(35)33(39)36-31-15-16-37(34(40)26-11-7-4-8-12-26)32-14-13-25(20-29(31)32)19-24-9-5-3-6-10-24/h3-14,17-18,20,30-31,38H,15-16,19,21,35H2,1-2H3,(H,36,39)/t30-,31+/s2
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0.0800n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/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+/m1/s1
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0.0890n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50015009
PNG
(CHEMBL3262367 | US9259422, 7a, R = 3,5-diMePh- BU1...)
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)c1cc(C)cc(C)c1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C33H41NO4/c1-19-13-20(2)15-23(14-19)30(3,36)25-17-31-9-10-33(25,37-4)29-32(31)11-12-34(18-21-5-6-21)26(31)16-22-7-8-24(35)28(38-29)27(22)32/h7-8,13-15,21,25-26,29,35-36H,5-6,9-12,16-18H2,1-4H3/t25-,26-,29-,30-,31-,32+,33-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185311
PNG
(CHEMBL3823231)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C31H35N3O3/c1-19-14-24(35)15-20(2)25(19)18-27(32)30(36)33-28-12-13-34(31(37)23-9-10-23)29-11-8-22(17-26(28)29)16-21-6-4-3-5-7-21/h3-8,11,14-15,17,23,27-28,35H,9-10,12-13,16,18,32H2,1-2H3,(H,33,36)/t27-,28+/s2
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0.100n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185309
PNG
(CHEMBL3824052)
Show SMILES CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
Show InChI InChI=1/C31H37N3O3/c1-4-8-30(36)34-14-13-28(26-18-23(11-12-29(26)34)17-22-9-6-5-7-10-22)33-31(37)27(32)19-25-20(2)15-24(35)16-21(25)3/h5-7,9-12,15-16,18,27-28,35H,4,8,13-14,17,19,32H2,1-3H3,(H,33,37)/t27-,28+/s2
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0.100n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185308
PNG
(CHEMBL3822956)
Show SMILES CCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
Show InChI InChI=1/C30H35N3O3/c1-4-29(35)33-13-12-27(25-17-22(10-11-28(25)33)16-21-8-6-5-7-9-21)32-30(36)26(31)18-24-19(2)14-23(34)15-20(24)3/h5-11,14-15,17,26-27,34H,4,12-13,16,18,31H2,1-3H3,(H,32,36)/t26-,27+/s2
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0.120n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133888
PNG
(CHEMBL3634247)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
Show InChI InChI=1/C29H33N3O3/c1-18-13-23(34)14-19(2)24(18)17-26(30)29(35)31-27-11-12-32(20(3)33)28-10-9-22(16-25(27)28)15-21-7-5-4-6-8-21/h4-10,13-14,16,26-27,34H,11-12,15,17,30H2,1-3H3,(H,31,35)/t26-,27+/s2
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0.130n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/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+/m1/s1
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0.130n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185329
PNG
(CHEMBL3823891)
Show SMILES CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r|
Show InChI InChI=1/C35H39N3O3/c1-4-7-34(40)38-15-14-32(37-35(41)31(36)21-29-22(2)16-28(39)17-23(29)3)30-20-25(11-13-33(30)38)18-24-10-12-26-8-5-6-9-27(26)19-24/h5-6,8-13,16-17,19-20,31-32,39H,4,7,14-15,18,21,36H2,1-3H3,(H,37,41)/t31-,32+/s2
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0.140n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185314
PNG
(CHEMBL3822963)
Show SMILES COCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
Show InChI InChI=1/C30H35N3O4/c1-19-13-23(34)14-20(2)24(19)17-26(31)30(36)32-27-11-12-33(29(35)18-37-3)28-10-9-22(16-25(27)28)15-21-7-5-4-6-8-21/h4-10,13-14,16,26-27,34H,11-12,15,17-18,31H2,1-3H3,(H,32,36)/t26-,27+/s2
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0.150n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50185312
PNG
(CHEMBL3823787)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CCC2)c2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C32H37N3O3/c1-20-15-25(36)16-21(2)26(20)19-28(33)31(37)34-29-13-14-35(32(38)24-9-6-10-24)30-12-11-23(18-27(29)30)17-22-7-4-3-5-8-22/h3-5,7-8,11-12,15-16,18,24,28-29,36H,6,9-10,13-14,17,19,33H2,1-2H3,(H,34,37)/t28-,29+/s2
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0.150n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50427555
PNG
(CHEMBL2322563)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12 |r|
Show InChI InChI=1S/C30H35N3O2/c1-18-11-24(34)12-19(2)25(18)17-27(31)30(35)33-29-9-10-32-28-8-7-20(16-26(28)29)13-21-14-22-5-3-4-6-23(22)15-21/h3-8,11-12,16,21,27,29,32,34H,9-10,13-15,17,31H2,1-2H3,(H,33,35)/t27-,29+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50427555
PNG
(CHEMBL2322563)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12 |r|
Show InChI InChI=1S/C30H35N3O2/c1-18-11-24(34)12-19(2)25(18)17-27(31)30(35)33-29-9-10-32-28-8-7-20(16-26(28)29)13-21-14-22-5-3-4-6-23(22)15-21/h3-8,11-12,16,21,27,29,32,34H,9-10,13-15,17,31H2,1-2H3,(H,33,35)/t27-,29+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50015011
PNG
(CHEMBL3262363 | US9259422, 7a, 2-MePh- BU10101 | U...)
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)c1ccccc1C)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C32H39NO4/c1-19-6-4-5-7-22(19)29(2,35)24-17-30-12-13-32(24,36-3)28-31(30)14-15-33(18-20-8-9-20)25(30)16-21-10-11-23(34)27(37-28)26(21)31/h4-7,10-11,20,24-25,28,34-35H,8-9,12-18H2,1-3H3/t24-,25-,28-,29-,30-,31+,32-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50015000
PNG
(CHEMBL3262377)
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)c1ccncc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H36N2O4/c1-27(34,20-7-12-31-13-8-20)22-16-28-9-10-30(22,35-2)26-29(28)11-14-32(17-18-3-4-18)23(28)15-19-5-6-21(33)25(36-26)24(19)29/h5-8,12-13,18,22-23,26,33-34H,3-4,9-11,14-17H2,1-2H3/t22-,23-,26-,27+,28-,29+,30-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50015003
PNG
(CHEMBL3262089 | US9259422, 7a, R = Ph-BU127 | US94...)
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)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C31H37NO4/c1-28(34,21-6-4-3-5-7-21)23-17-29-12-13-31(23,35-2)27-30(29)14-15-32(18-19-8-9-19)24(29)16-20-10-11-22(33)26(36-27)25(20)30/h3-7,10-11,19,23-24,27,33-34H,8-9,12-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185313
PNG
(CHEMBL3823830)
Show SMILES COC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
Show InChI InChI=1/C29H33N3O4/c1-18-13-22(33)14-19(2)23(18)17-25(30)28(34)31-26-11-12-32(29(35)36-3)27-10-9-21(16-24(26)27)15-20-7-5-4-6-8-20/h4-10,13-14,16,25-26,33H,11-12,15,17,30H2,1-3H3,(H,31,34)/t25-,26+/s2
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0.190n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50015011
PNG
(CHEMBL3262363 | US9259422, 7a, 2-MePh- BU10101 | U...)
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)c1ccccc1C)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C32H39NO4/c1-19-6-4-5-7-22(19)29(2,35)24-17-30-12-13-32(24,36-3)28-31(30)14-15-33(18-20-8-9-20)25(30)16-21-10-11-23(34)27(37-28)26(21)31/h4-7,10-11,20,24-25,28,34-35H,8-9,12-18H2,1-3H3/t24-,25-,28-,29-,30-,31+,32-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50185326
PNG
(CHEMBL3823186)
Show SMILES CCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r|
Show InChI InChI=1/C34H37N3O3/c1-4-33(39)37-14-13-31(36-34(40)30(35)20-28-21(2)15-27(38)16-22(28)3)29-19-24(10-12-32(29)37)17-23-9-11-25-7-5-6-8-26(25)18-23/h5-12,15-16,18-19,30-31,38H,4,13-14,17,20,35H2,1-3H3,(H,36,40)/t30-,31+/s2
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0.210n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50427556
PNG
(CHEMBL2322568)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h3-9,12-13,15,24,26,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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0.220n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50427556
PNG
(CHEMBL2322568)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h3-9,12-13,15,24,26,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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0.220n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50071865
PNG
((S)-2-Amino-N-(6-benzyl-1,2,3,4-tetrahydro-quinoli...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NC1CCNc2ccc(Cc3ccccc3)cc12
Show InChI InChI=1S/C27H31N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h3-9,12-13,15,24,26,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26?/m0/s1
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0.220n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain membranes


Bioorg Med Chem Lett 8: 2685-8 (1999)


BindingDB Entry DOI: 10.7270/Q2154HJJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185316
PNG
(CHEMBL3824309)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(CC(N)=O)c2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C29H34N4O3/c1-18-12-22(34)13-19(2)23(18)16-25(30)29(36)32-26-10-11-33(17-28(31)35)27-9-8-21(15-24(26)27)14-20-6-4-3-5-7-20/h3-9,12-13,15,25-26,34H,10-11,14,16-17,30H2,1-2H3,(H2,31,35)(H,32,36)/t25-,26+/s2
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0.230n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185312
PNG
(CHEMBL3823787)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CCC2)c2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C32H37N3O3/c1-20-15-25(36)16-21(2)26(20)19-28(33)31(37)34-29-13-14-35(32(38)24-9-6-10-24)30-12-11-23(18-27(29)30)17-22-7-4-3-5-8-22/h3-5,7-8,11-12,15-16,18,24,28-29,36H,6,9-10,13-14,17,19,33H2,1-2H3,(H,34,37)/t28-,29+/s2
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0.230n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50133896
PNG
(CHEMBL3634252)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r|
Show InChI InChI=1/C33H35N3O3/c1-20-14-27(38)15-21(2)28(20)19-30(34)33(39)35-31-12-13-36(22(3)37)32-11-9-24(18-29(31)32)16-23-8-10-25-6-4-5-7-26(25)17-23/h4-11,14-15,17-18,30-31,38H,12-13,16,19,34H2,1-3H3,(H,35,39)/t30-,31+/s2
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0.230n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50427558
PNG
(CHEMBL2322560)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CCc3ccccc3)cc12 |r|
Show InChI InChI=1S/C28H33N3O2/c1-18-14-22(32)15-19(2)23(18)17-25(29)28(33)31-27-12-13-30-26-11-10-21(16-24(26)27)9-8-20-6-4-3-5-7-20/h3-7,10-11,14-16,25,27,30,32H,8-9,12-13,17,29H2,1-2H3,(H,31,33)/t25-,27+/m0/s1
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0.240n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50185315
PNG
(CHEMBL3823958)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C34H35N3O3/c1-22-17-27(38)18-23(2)28(22)21-30(35)33(39)36-31-15-16-37(34(40)26-11-7-4-8-12-26)32-14-13-25(20-29(31)32)19-24-9-5-3-6-10-24/h3-14,17-18,20,30-31,38H,15-16,19,21,35H2,1-2H3,(H,36,39)/t30-,31+/s2
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0.240n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50015009
PNG
(CHEMBL3262367 | US9259422, 7a, R = 3,5-diMePh- BU1...)
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)c1cc(C)cc(C)c1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C33H41NO4/c1-19-13-20(2)15-23(14-19)30(3,36)25-17-31-9-10-33(25,37-4)29-32(31)11-12-34(18-21-5-6-21)26(31)16-22-7-8-24(35)28(38-29)27(22)32/h7-8,13-15,21,25-26,29,35-36H,5-6,9-12,16-18H2,1-4H3/t25-,26-,29-,30-,31-,32+,33-/m1/s1
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0.280n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185326
PNG
(CHEMBL3823186)
Show SMILES CCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r|
Show InChI InChI=1/C34H37N3O3/c1-4-33(39)37-14-13-31(36-34(40)30(35)20-28-21(2)15-27(38)16-22(28)3)29-19-24(10-12-32(29)37)17-23-9-11-25-7-5-6-8-26(25)18-23/h5-12,15-16,18-19,30-31,38H,4,13-14,17,20,35H2,1-3H3,(H,36,40)/t30-,31+/s2
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0.280n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50071861
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-9...)
Show SMILES CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H37N5O5S2/c1-28(2)23(24(30)35)33-26(37)21(15-17-6-4-3-5-7-17)31-27(38)22(16-39-12-13-40-28)32-25(36)20(29)14-18-8-10-19(34)11-9-18/h3-11,20-23,34H,12-16,29H2,1-2H3,(H2,30,35)(H,31,38)(H,32,36)(H,33,37)/t20-,21-,22+,23+/m0/s1
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0.290n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor


Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50133885
PNG
(CHEMBL3634250)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3CCCCC3)ccc12 |r|
Show InChI InChI=1/C29H39N3O3/c1-18-13-23(34)14-19(2)24(18)17-26(30)29(35)31-27-11-12-32(20(3)33)28-10-9-22(16-25(27)28)15-21-7-5-4-6-8-21/h9-10,13-14,16,21,26-27,34H,4-8,11-12,15,17,30H2,1-3H3,(H,31,35)/t26-,27+/s2
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0.320n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185330
PNG
(CHEMBL3824356)
Show SMILES COC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r|
Show InChI InChI=1/C33H35N3O4/c1-20-14-26(37)15-21(2)27(20)19-29(34)32(38)35-30-12-13-36(33(39)40-3)31-11-9-23(18-28(30)31)16-22-8-10-24-6-4-5-7-25(24)17-22/h4-11,14-15,17-18,29-30,37H,12-13,16,19,34H2,1-3H3,(H,35,38)/t29-,30+/s2
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0.320n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50299215
PNG
((5R,8S,11S,14S)-14-((S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C38H42N6O6S2/c39-29(17-24-13-15-27(45)16-14-24)35(47)44-33-21-52-22-51-20-32(34(40)46)43-36(48)30(18-23-7-2-1-3-8-23)41-37(49)31(42-38(33)50)19-26-11-6-10-25-9-4-5-12-28(25)26/h1-16,29-33,45H,17-22,39H2,(H2,40,46)(H,41,49)(H,42,50)(H,43,48)(H,44,47)/t29-,30-,31-,32-,33+/m0/s1
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0.330n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells after 1 hr by liquid scintillation counting


J Med Chem 52: 7724-31 (2009)


Article DOI: 10.1021/jm9007483
BindingDB Entry DOI: 10.7270/Q2GQ6XTD
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50185311
PNG
(CHEMBL3823231)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C31H35N3O3/c1-19-14-24(35)15-20(2)25(19)18-27(32)30(36)33-28-12-13-34(31(37)23-9-10-23)29-11-8-22(17-26(28)29)16-21-6-4-3-5-7-21/h3-8,11,14-15,17,23,27-28,35H,9-10,12-13,16,18,32H2,1-2H3,(H,33,36)/t27-,28+/s2
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0.350n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50015010
PNG
(CHEMBL3262091)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C32H39NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-12,20,24-25,28,34-35H,3,9-10,13-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/m1/s1
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0.360n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting anal...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62
More data for this
Ligand-Target Pair
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