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Compile Data Set for Download or QSAR

Found 271 hits with Last Name = 'negri' and Initial = 'l'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179190
PNG
(2-(2-(((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(O)=O
Show InChI InChI=1S/C31H33N5O5/c1-18-11-22(37)12-19(2)23(18)14-24(32)31(41)36-16-21-8-4-3-7-20(21)13-27(36)30(40)33-15-28-34-25-9-5-6-10-26(25)35(28)17-29(38)39/h3-12,24,27,37H,13-17,32H2,1-2H3,(H,33,40)(H,38,39)/t24-,27-/m0/s1
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0.0210n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from rat delta opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50121649
PNG
(2-[({2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCc1nc2ccccc2n1C(O)=O
Show InChI InChI=1S/C30H31N5O5/c1-17-11-21(36)12-18(2)22(17)14-23(31)29(38)34-16-20-8-4-3-7-19(20)13-26(34)28(37)32-15-27-33-24-9-5-6-10-25(24)35(27)30(39)40/h3-12,23,26,36H,13-16,31H2,1-2H3,(H,32,37)(H,39,40)/t23-,26?/m0/s1
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0.0210n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50266025
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1
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0.0310n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in Sprague-Dawley rat brain synaptosomal membranes


Bioorg Med Chem Lett 19: 433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.051
BindingDB Entry DOI: 10.7270/Q2K64HZ7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50266025
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1
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0.0310n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussels

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor


J Med Chem 49: 3990-3 (2006)


Article DOI: 10.1021/jm0603264
BindingDB Entry DOI: 10.7270/Q2474BPW
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179191
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26-/m0/s1
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0.0350n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179191
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26-/m0/s1
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0.0350n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from rat delta opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027229
PNG
(CHEMBL2375157)
Show SMILES C[C@@H](CN1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1nc2ccccc2[nH]1)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1/C32H37N5O3/c1-20(12-26-21(2)13-25(38)14-22(26)3)18-37-19-24-9-5-4-8-23(24)15-29(37)32(40)34-17-31(39)33-16-30-35-27-10-6-7-11-28(27)36-30/h4-11,13-14,20,29,38H,12,15-19H2,1-3H3,(H,33,39)(H,34,40)(H,35,36)/t20-,29+/s2
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0.0350n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussels

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor


J Med Chem 49: 3990-3 (2006)


Article DOI: 10.1021/jm0603264
BindingDB Entry DOI: 10.7270/Q2474BPW
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50157686
PNG
(5-[({5-[(2S)-2-({2-[(2S)-2-amino-3-(4-hydroxy-2,6-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CCC(O)=O)C(=O)NCCCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |r,wU:10.11,wD:27.29,(9.42,-23.16,;9.42,-24.7,;8.07,-25.47,;8.07,-27.02,;6.73,-27.79,;9.41,-27.78,;10.75,-27.02,;12.09,-27.79,;10.75,-25.47,;12.09,-24.69,;13.43,-25.47,;13.43,-27.01,;14.77,-24.69,;14.77,-23.15,;16.11,-25.47,;16.11,-27.02,;17.44,-27.79,;17.44,-29.33,;18.77,-30.1,;20.11,-29.33,;20.11,-27.79,;18.77,-27.02,;18.77,-25.47,;17.45,-24.7,;17.45,-23.15,;16.1,-22.38,;18.78,-22.38,;18.78,-20.84,;20.12,-20.06,;21.47,-20.84,;22.8,-20.07,;22.8,-18.53,;24.14,-20.85,;17.45,-20.07,;16.12,-20.84,;17.45,-18.53,;16.12,-17.76,;14.78,-18.53,;13.45,-17.76,;12.12,-18.54,;10.78,-17.77,;9.45,-18.54,;8.11,-17.77,;8.11,-16.23,;6.78,-18.54,;5.45,-17.77,;5.45,-16.24,;4.12,-15.47,;2.79,-16.24,;2.79,-17.79,;4.13,-18.55,;1.69,-18.66,;.4,-18.71,;2.09,-20.17,;1.45,-15.47,;1.45,-13.94,;2.78,-13.18,;2.78,-11.64,;1.44,-10.88,;1.44,-9.34,;.12,-11.64,;.13,-13.17,;-1.21,-13.94,;-1.21,-15.47,;-2.54,-16.23,;-2.55,-17.78,;-3.89,-18.54,;-1.21,-18.55,;.12,-17.8,;.13,-16.25,)|
Show InChI InChI=1S/C52H54N6O11S/c1-28-20-35(61)21-29(2)39(28)26-41(53)50(66)58-27-31-9-5-4-8-30(31)22-43(58)49(65)57-42(16-17-46(62)63)48(64)54-18-6-3-7-19-55-52(70)56-32-10-13-36(40(23-32)51(67)68)47-37-14-11-33(59)24-44(37)69-45-25-34(60)12-15-38(45)47/h4-5,8-15,20-21,23-25,41-43,59,61H,3,6-7,16-19,22,26-27,53H2,1-2H3,(H,54,64)(H,57,65)(H,62,63)(H,67,68)(H2,55,56,70)/t41-,42-,43?/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain synaptosomes P2 fraction


J Med Chem 47: 6541-6 (2004)


Article DOI: 10.1021/jm040128h
BindingDB Entry DOI: 10.7270/Q28W3CS2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50121648
PNG
(2-({2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1nc2ccccc2[nH]1)C(O)=O
Show InChI InChI=1S/C31H33N5O5/c1-17-11-21(37)12-18(2)22(17)14-23(32)30(39)36-16-20-8-4-3-7-19(20)13-27(36)29(38)35-26(31(40)41)15-28-33-24-9-5-6-10-25(24)34-28/h3-12,23,26-27,37H,13-16,32H2,1-2H3,(H,33,34)(H,35,38)(H,40,41)/t23-,26-,27?/m0/s1
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0.0420n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50272081
PNG
(2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C29H32N4O4/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(37)33-17-21-9-7-6-8-20(21)14-26(33)28(36)31-16-27(35)32-22-10-4-3-5-11-22/h3-13,25-26,34H,14-17,30H2,1-2H3,(H,31,36)(H,32,35)/t25-,26-/m0/s1
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0.0420n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussels

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor


J Med Chem 49: 3990-3 (2006)


Article DOI: 10.1021/jm0603264
BindingDB Entry DOI: 10.7270/Q2474BPW
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50121645
PNG
(2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)pr...)
Show SMILES C[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C30H33N5O3/c1-17-12-22(36)13-18(2)23(17)15-24(31)30(38)35-16-21-9-5-4-8-20(21)14-27(35)29(37)32-19(3)28-33-25-10-6-7-11-26(25)34-28/h4-13,19,24,27,36H,14-16,31H2,1-3H3,(H,32,37)(H,33,34)/t19-,24-,27?/m0/s1
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0.0470n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50157684
PNG
(CHEMBL2369958 | H-Dmt-Tic-Glu-NH2)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C26H32N4O6/c1-14-9-18(31)10-15(2)19(14)12-20(27)26(36)30-13-17-6-4-3-5-16(17)11-22(30)25(35)29-21(24(28)34)7-8-23(32)33/h3-6,9-10,20-22,31H,7-8,11-13,27H2,1-2H3,(H2,28,34)(H,29,35)(H,32,33)/t20-,21-,22-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain synaptosomes P2 fraction


J Med Chem 47: 6541-6 (2004)


Article DOI: 10.1021/jm040128h
BindingDB Entry DOI: 10.7270/Q28W3CS2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50121645
PNG
(2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)pr...)
Show SMILES C[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C30H33N5O3/c1-17-12-22(36)13-18(2)23(17)15-24(31)30(38)35-16-21-9-5-4-8-20(21)14-27(35)29(37)32-19(3)28-33-25-10-6-7-11-26(25)34-28/h4-13,19,24,27,36H,14-16,31H2,1-3H3,(H,32,37)(H,33,34)/t19-,24-,27?/m0/s1
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0.0630n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50108919
PNG
(2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C30H33N5O3/c1-18-13-22(36)14-19(2)23(18)16-24(31)30(38)35-17-21-8-4-3-7-20(21)15-27(35)29(37)32-12-11-28-33-25-9-5-6-10-26(25)34-28/h3-10,13-14,24,27,36H,11-12,15-17,31H2,1-2H3,(H,32,37)(H,33,34)/t24-,27?/m0/s1
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0.0670n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50326662
PNG
(10-hydroxy-17-methoxy-4-methyl-(13R,17S)-12-oxa-4-...)
Show SMILES CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10/h3-4,13,16,20H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



University La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes


J Med Chem 48: 3372-8 (2005)


Article DOI: 10.1021/jm040894o
BindingDB Entry DOI: 10.7270/Q2X92C3R
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50166216
PNG
(17-benzyloxy-10-hydroxy-4-methyl-(13R,17S)-12-oxa-...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCc1ccccc1)ccc5O |TLB:25:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C24H25NO4/c1-25-12-11-23-20-16-7-8-17(26)21(20)29-22(23)18(27)9-10-24(23,19(25)13-16)28-14-15-5-3-2-4-6-15/h2-8,19,22,26H,9-14H2,1H3/t19?,22-,23-,24+/m0/s1
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0.120n/an/an/an/an/an/an/an/a



University La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes


J Med Chem 48: 3372-8 (2005)


Article DOI: 10.1021/jm040894o
BindingDB Entry DOI: 10.7270/Q2X92C3R
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179187
PNG
(CHEMBL197183 | ethyl 2-(2-(((S)-2-((S)-2-amino-3-(...)
Show SMILES CCOC(=O)Cn1c(CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc2ccccc12
Show InChI InChI=1S/C33H37N5O5/c1-4-43-31(40)19-37-28-12-8-7-11-27(28)36-30(37)17-35-32(41)29-15-22-9-5-6-10-23(22)18-38(29)33(42)26(34)16-25-20(2)13-24(39)14-21(25)3/h5-14,26,29,39H,4,15-19,34H2,1-3H3,(H,35,41)/t26-,29-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from rat delta opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179189
PNG
((S)-N-((1-allyl-1H-benzo[d]imidazol-2-yl)methyl)-2...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC=C
Show InChI InChI=1S/C32H35N5O3/c1-4-13-36-28-12-8-7-11-27(28)35-30(36)18-34-31(39)29-16-22-9-5-6-10-23(22)19-37(29)32(40)26(33)17-25-20(2)14-24(38)15-21(25)3/h4-12,14-15,26,29,38H,1,13,16-19,33H2,2-3H3,(H,34,39)/t26-,29-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from rat delta opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50127165
PNG
(10-hydroxy-17-methoxy-4,13-dimethyl-(13R,17S)-12-o...)
Show SMILES CO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |THB:10:11:2:15.18.17,20:12:2:15.18.17|
Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3/t13?,17-,18-,19+/m0/s1
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0.150n/an/an/an/an/an/an/an/a



University La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes


J Med Chem 48: 3372-8 (2005)


Article DOI: 10.1021/jm040894o
BindingDB Entry DOI: 10.7270/Q2X92C3R
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50188534
PNG
((H-Dmt-Tic-Glu-NH-(CH(2))(5)-CO-Dap(6DMN)-NH(2) | ...)
Show SMILES CN(C)c1ccc2cc3C(=O)N(CC(NC(=O)CCCCCNC(=O)[C@H](CCC(O)=O)NC(=O)C4Cc5ccccc5CN4C(=O)[C@@H](N)Cc4c(C)cc(O)cc4C)C(N)=O)C(=O)c3cc2c1
Show InChI InChI=1S/C49H58N8O10/c1-27-18-34(58)19-28(2)35(27)24-38(50)49(67)56-25-31-11-8-7-10-29(31)23-41(56)46(64)54-39(15-16-43(60)61)45(63)52-17-9-5-6-12-42(59)53-40(44(51)62)26-57-47(65)36-21-30-13-14-33(55(3)4)20-32(30)22-37(36)48(57)66/h7-8,10-11,13-14,18-22,38-41,58H,5-6,9,12,15-17,23-26,50H2,1-4H3,(H2,51,62)(H,52,63)(H,53,59)(H,54,64)(H,60,61)/t38-,39-,40?,41?/m0/s1
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0.158n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin C from rat delta opioid receptor in brain P2 synaptosomes


J Med Chem 49: 3653-8 (2006)


Article DOI: 10.1021/jm060343t
BindingDB Entry DOI: 10.7270/Q25M65B6
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50166212
PNG
(17-ethoxy-10-hydroxy-13-methyl-4-phenethyl-(13R,17...)
Show SMILES CCO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(CCc1ccccc1)CC[C@@]235)ccc4O |THB:11:12:3:16.26.25,28:13:3:16.26.25|
Show InChI InChI=1S/C27H31NO4/c1-3-31-27-13-11-22(30)25(2)26(27)14-16-28(15-12-18-7-5-4-6-8-18)21(27)17-19-9-10-20(29)24(32-25)23(19)26/h4-10,21,29H,3,11-17H2,1-2H3/t21?,25-,26-,27+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes


J Med Chem 48: 3372-8 (2005)


Article DOI: 10.1021/jm040894o
BindingDB Entry DOI: 10.7270/Q2X92C3R
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50272081
PNG
(2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C29H32N4O4/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(37)33-17-21-9-7-6-8-20(21)14-26(33)28(36)31-16-27(35)32-22-10-4-3-5-11-22/h3-13,25-26,34H,14-17,30H2,1-2H3,(H,31,36)(H,32,35)/t25-,26-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussels

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


J Med Chem 49: 3990-3 (2006)


Article DOI: 10.1021/jm0603264
BindingDB Entry DOI: 10.7270/Q2474BPW
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179192
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1C
Show InChI InChI=1S/C30H33N5O3/c1-18-12-22(36)13-19(2)23(18)15-24(31)30(38)35-17-21-9-5-4-8-20(21)14-27(35)29(37)32-16-28-33-25-10-6-7-11-26(25)34(28)3/h4-13,24,27,36H,14-17,31H2,1-3H3,(H,32,37)/t24-,27-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from rat delta opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179188
PNG
((S)-N-((1-(2-amino-2-oxoethyl)-1H-benzo[d]imidazol...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(N)=O
Show InChI InChI=1S/C31H34N6O4/c1-18-11-22(38)12-19(2)23(18)14-24(32)31(41)37-16-21-8-4-3-7-20(21)13-27(37)30(40)34-15-29-35-25-9-5-6-10-26(25)36(29)17-28(33)39/h3-12,24,27,38H,13-17,32H2,1-2H3,(H2,33,39)(H,34,40)/t24-,27-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from rat delta opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50266025
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussels

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


J Med Chem 49: 3990-3 (2006)


Article DOI: 10.1021/jm0603264
BindingDB Entry DOI: 10.7270/Q2474BPW
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50266025
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.051
BindingDB Entry DOI: 10.7270/Q2K64HZ7
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50166214
PNG
(10-hydroxy-4-methyl-17-(1-naphthylmethoxy)-(13R,17...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCc1cccc2ccccc12)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C28H27NO4/c1-29-14-13-27-24-18-9-10-21(30)25(24)33-26(27)22(31)11-12-28(27,23(29)15-18)32-16-19-7-4-6-17-5-2-3-8-20(17)19/h2-10,23,26,30H,11-16H2,1H3/t23?,26-,27-,28+/m0/s1
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0.180n/an/an/an/an/an/an/an/a



University La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes


J Med Chem 48: 3372-8 (2005)


Article DOI: 10.1021/jm040894o
BindingDB Entry DOI: 10.7270/Q2X92C3R
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50166215
PNG
(17-benzyloxy-10-hydroxy-4,13-dimethyl-(13R,17S)-12...)
Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(OCc2ccccc2)C1Cc4ccc5O |TLB:26:25:14:1.3.2,6:5:14:1.3.2|
Show InChI InChI=1S/C25H27NO4/c1-23-20(28)10-11-25(29-15-16-6-4-3-5-7-16)19-14-17-8-9-18(27)22(30-23)21(17)24(23,25)12-13-26(19)2/h3-9,19,27H,10-15H2,1-2H3/t19?,23-,24-,25+/m0/s1
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0.180n/an/an/an/an/an/an/an/a



University La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes


J Med Chem 48: 3372-8 (2005)


Article DOI: 10.1021/jm040894o
BindingDB Entry DOI: 10.7270/Q2X92C3R
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179186
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C36H37N5O3/c1-23-16-28(42)17-24(2)29(23)19-30(37)36(44)41-22-27-13-7-6-12-26(27)18-33(41)35(43)38-20-34-39-31-14-8-9-15-32(31)40(34)21-25-10-4-3-5-11-25/h3-17,30,33,42H,18-22,37H2,1-2H3,(H,38,43)/t30-,33-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from rat delta opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50157685
PNG
(CHEMBL225479 | H-Dmt-Tic-Glu-NH-(CH2)5-NH2)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CCC(O)=O)C(=O)NCCCCCN |r|
Show InChI InChI=1S/C31H43N5O6/c1-19-14-23(37)15-20(2)24(19)17-25(33)31(42)36-18-22-9-5-4-8-21(22)16-27(36)30(41)35-26(10-11-28(38)39)29(40)34-13-7-3-6-12-32/h4-5,8-9,14-15,25-27,37H,3,6-7,10-13,16-18,32-33H2,1-2H3,(H,34,40)(H,35,41)(H,38,39)/t25-,26-,27?/m0/s1
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0.220n/an/an/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain synaptosomes P2 fraction


J Med Chem 47: 6541-6 (2004)


Article DOI: 10.1021/jm040128h
BindingDB Entry DOI: 10.7270/Q28W3CS2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50121645
PNG
(2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)pr...)
Show SMILES C[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C30H33N5O3/c1-17-12-22(36)13-18(2)23(17)15-24(31)30(38)35-16-21-9-5-4-8-20(21)14-27(35)29(37)32-19(3)28-33-25-10-6-7-11-26(25)34-28/h4-13,19,24,27,36H,14-16,31H2,1-3H3,(H,32,37)(H,33,34)/t19-,24-,27?/m0/s1
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0.233n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAGO binding to Opioid receptor mu 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009145
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(O)=O
Show InChI InChI=1S/C37H51N7O11/c1-19(2)30(36(54)39-18-29(48)49)44-37(55)31(20(3)4)43-35(53)27(17-28(46)47)42-34(52)26(16-22-9-7-6-8-10-22)41-32(50)21(5)40-33(51)25(38)15-23-11-13-24(45)14-12-23/h6-14,19-21,25-27,30-31,45H,15-18,38H2,1-5H3,(H,39,54)(H,40,51)(H,41,50)(H,42,52)(H,43,53)(H,44,55)(H,46,47)(H,48,49)/t21-,25-,26-,27-,30-,31-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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0.240n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from rat delta opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50108918
PNG
((2S)-2-({2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl...)
Show SMILES C[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O
Show InChI InChI=1S/C24H30N4O4/c1-13-8-18(29)9-14(2)19(13)11-20(25)24(32)28-12-17-7-5-4-6-16(17)10-21(28)23(31)27-15(3)22(26)30/h4-9,15,20-21,29H,10-12,25H2,1-3H3,(H2,26,30)(H,27,31)/t15-,20-,21?/m0/s1
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0.241n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50121650
PNG
(3-({2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C25H30N4O6/c1-13-7-17(30)8-14(2)18(13)10-19(26)25(35)29-12-16-6-4-3-5-15(16)9-21(29)24(34)28-20(23(27)33)11-22(31)32/h3-8,19-21,30H,9-12,26H2,1-2H3,(H2,27,33)(H,28,34)(H,31,32)/t19-,20-,21?/m0/s1
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0.289n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50108918
PNG
((2S)-2-({2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl...)
Show SMILES C[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O
Show InChI InChI=1S/C24H30N4O4/c1-13-8-18(29)9-14(2)19(13)11-20(25)24(32)28-12-17-7-5-4-6-16(17)10-21(28)23(31)27-15(3)22(26)30/h4-9,15,20-21,29H,10-12,25H2,1-3H3,(H2,26,30)(H,27,31)/t15-,20-,21?/m0/s1
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0.301n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179193
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC1CC1
Show InChI InChI=1S/C33H37N5O3/c1-20-13-25(39)14-21(2)26(20)16-27(34)33(41)38-19-24-8-4-3-7-23(24)15-30(38)32(40)35-17-31-36-28-9-5-6-10-29(28)37(31)18-22-11-12-22/h3-10,13-14,22,27,30,39H,11-12,15-19,34H2,1-2H3,(H,35,40)/t27-,30-/m0/s1
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0.360n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from rat delta opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50121645
PNG
(2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)pr...)
Show SMILES C[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C30H33N5O3/c1-17-12-22(36)13-18(2)23(17)15-24(31)30(38)35-16-21-9-5-4-8-20(21)14-27(35)29(37)32-19(3)28-33-25-10-6-7-11-26(25)34-28/h4-13,19,24,27,36H,14-16,31H2,1-3H3,(H,32,37)(H,33,34)/t19-,24-,27?/m0/s1
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0.411n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAGO binding to Opioid receptor mu 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50179189
PNG
((S)-N-((1-allyl-1H-benzo[d]imidazol-2-yl)methyl)-2...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC=C
Show InChI InChI=1S/C32H35N5O3/c1-4-13-36-28-12-8-7-11-27(28)35-30(36)18-34-31(39)29-16-22-9-5-6-10-23(22)19-37(29)32(40)26(33)17-25-20(2)14-24(38)15-21(25)3/h4-12,14-15,26,29,38H,1,13,16-19,33H2,2-3H3,(H,34,39)/t26-,29-/m0/s1
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0.440n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272169
PNG
((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C31H33N5O5/c1-17-11-21(37)12-18(2)22(17)14-23(32)31(41)36-16-20-8-4-3-7-19(20)13-27(36)30(40)35-26(15-28(38)39)29-33-24-9-5-6-10-25(24)34-29/h3-12,23,26-27,37H,13-16,32H2,1-2H3,(H,33,34)(H,35,40)(H,38,39)/t23-,26-,27-/m0/s1
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0.443n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50189920
PNG
((S)-2-amino-N-((S)-2-(2-(benzylamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)29(37)33-27-14-22-10-6-7-11-23(22)17-34(30(27)38)18-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1
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0.460n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussels

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


J Med Chem 49: 3990-3 (2006)


Article DOI: 10.1021/jm0603264
BindingDB Entry DOI: 10.7270/Q2474BPW
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50189920
PNG
((S)-2-amino-N-((S)-2-(2-(benzylamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)29(37)33-27-14-22-10-6-7-11-23(22)17-34(30(27)38)18-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1
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0.460n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.051
BindingDB Entry DOI: 10.7270/Q2K64HZ7
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50179188
PNG
((S)-N-((1-(2-amino-2-oxoethyl)-1H-benzo[d]imidazol...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(N)=O
Show InChI InChI=1S/C31H34N6O4/c1-18-11-22(38)12-19(2)23(18)14-24(32)31(41)37-16-21-8-4-3-7-20(21)13-27(37)30(40)34-15-29-35-25-9-5-6-10-26(25)36(29)17-28(33)39/h3-12,24,27,38H,13-17,32H2,1-2H3,(H2,33,39)(H,34,40)/t24-,27-/m0/s1
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0.490n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50179191
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAGO binding to Opioid receptor mu 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50179191
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027229
PNG
(CHEMBL2375157)
Show SMILES C[C@@H](CN1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1nc2ccccc2[nH]1)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1/C32H37N5O3/c1-20(12-26-21(2)13-25(38)14-22(26)3)18-37-19-24-9-5-4-8-23(24)15-29(37)32(40)34-17-31(39)33-16-30-35-27-10-6-7-11-28(27)36-30/h4-11,13-14,20,29,38H,12,15-19H2,1-3H3,(H,33,39)(H,34,40)(H,35,36)/t20-,29+/s2
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0.5n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussels

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


J Med Chem 49: 3990-3 (2006)


Article DOI: 10.1021/jm0603264
BindingDB Entry DOI: 10.7270/Q2474BPW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50073519
PNG
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(O)C[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C43H57N9O10/c1-25(48-40(59)32(45)19-27-10-14-29(53)15-11-27)39(58)51-34(20-26-7-3-2-4-8-26)41(60)47-23-37(56)49-35(21-28-12-16-30(54)17-13-28)43(62)52-24-31(55)22-36(52)42(61)50-33(38(46)57)9-5-6-18-44/h2-4,7-8,10-17,25,31-36,53-55H,5-6,9,18-24,44-45H2,1H3,(H2,46,57)(H,47,60)(H,48,59)(H,49,56)(H,50,61)(H,51,58)/t25-,31?,32+,33+,34+,35+,36+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50179193
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC1CC1
Show InChI InChI=1S/C33H37N5O3/c1-20-13-25(39)14-21(2)26(20)16-27(34)33(41)38-19-24-8-4-3-7-23(24)15-30(38)32(40)35-17-31-36-28-9-5-6-10-29(28)37(31)18-22-11-12-22/h3-10,13-14,22,27,30,39H,11-12,15-19,34H2,1-2H3,(H,35,40)/t27-,30-/m0/s1
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0.520n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50166213
PNG
(17-allyloxy-10-hydroxy-4-methyl-(13R,17S)-12-oxa-4...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCC=C)ccc5O |TLB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C20H23NO4/c1-3-10-24-20-7-6-14(23)18-19(20)8-9-21(2)15(20)11-12-4-5-13(22)17(25-18)16(12)19/h3-5,15,18,22H,1,6-11H2,2H3/t15?,18-,19-,20+/m0/s1
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PC cid
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0.610n/an/an/an/an/an/an/an/a



University La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes


J Med Chem 48: 3372-8 (2005)


Article DOI: 10.1021/jm040894o
BindingDB Entry DOI: 10.7270/Q2X92C3R
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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PC cid
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UniChem
Article
PubMed
0.690n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussels

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


J Med Chem 49: 3990-3 (2006)


Article DOI: 10.1021/jm0603264
BindingDB Entry DOI: 10.7270/Q2474BPW
More data for this
Ligand-Target Pair
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