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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50030509   
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))
BDBM50297286
PNG
(1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino-3-(...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C30H31N5O4/c1-17-11-21(36)12-18(2)22(17)14-23(31)30(39)35-16-20-8-4-3-7-19(20)13-26(35)29(38)32-15-27(37)28-33-24-9-5-6-10-25(24)34-28/h3-12,23,26,36H,13-16,31H2,1-2H3,(H,32,38)(H,33,34)/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 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297301
PNG
((S)-1H-benzo[d]imidazol-2-yl 3-acetoxy-2-((S)-2-((...)
Show SMILES CC(=O)OC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C33H35N5O6/c1-18-12-23(40)13-19(2)24(18)15-25(34)33(43)38-16-22-9-5-4-8-21(22)14-29(38)32(42)37-28(17-44-20(3)39)30(41)31-35-26-10-6-7-11-27(26)36-31/h4-13,25,28-29,40H,14-17,34H2,1-3H3,(H,35,36)(H,37,42)/t25-,28-,29-/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 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297303
PNG
((S)-5-(1H-benzo[d]imidazol-2-yloxy)-4-((S)-2-((S)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C33H35N5O6/c1-18-13-22(39)14-19(2)23(18)16-24(34)33(44)38-17-21-8-4-3-7-20(21)15-28(38)32(43)37-27(11-12-29(40)41)30(42)31-35-25-9-5-6-10-26(25)36-31/h3-10,13-14,24,27-28,39H,11-12,15-17,34H2,1-2H3,(H,35,36)(H,37,43)(H,40,41)/t24-,27-,28-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297294
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C37H37N5O4/c1-22-16-27(43)17-23(2)28(22)20-29(38)37(46)42-21-26-13-7-6-12-25(26)19-33(42)36(45)41-32(18-24-10-4-3-5-11-24)34(44)35-39-30-14-8-9-15-31(30)40-35/h3-17,29,32-33,43H,18-21,38H2,1-2H3,(H,39,40)(H,41,45)/t29-,32-,33-/m0/s1
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0.0490n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297299
PNG
((S)-1H-benzo[d]imidazol-2-yl 4-amino-2-((S)-2-((S)...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C32H34N6O5/c1-17-11-21(39)12-18(2)22(17)14-23(33)32(43)38-16-20-8-4-3-7-19(20)13-27(38)31(42)37-26(15-28(34)40)29(41)30-35-24-9-5-6-10-25(24)36-30/h3-12,23,26-27,39H,13-16,33H2,1-2H3,(H2,34,40)(H,35,36)(H,37,42)/t23-,26-,27-/m0/s1
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0.0510n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297287
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C31H33N5O4/c1-17-12-22(37)13-18(2)23(17)15-24(32)31(40)36-16-21-9-5-4-8-20(21)14-27(36)30(39)33-19(3)28(38)29-34-25-10-6-7-11-26(25)35-29/h4-13,19,24,27,37H,14-16,32H2,1-3H3,(H,33,39)(H,34,35)/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
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297297
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)c1nc2ccccc2[nH]1 |r,w:31.33|
Show InChI InChI=1S/C34H39N9O6/c1-19-14-23(44)15-20(2)24(19)17-25(35)33(47)42-18-22-9-4-3-8-21(22)16-29(42)32(46)40-28(12-7-13-37-34(36)41-43(48)49)30(45)31-38-26-10-5-6-11-27(26)39-31/h3-6,8-11,14-15,25,28-29,44H,7,12-13,16-18,35H2,1-2H3,(H,38,39)(H,40,46)(H3,36,37,41)/t25-,28-,29-/m0/s1
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0.0650n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297301
PNG
((S)-1H-benzo[d]imidazol-2-yl 3-acetoxy-2-((S)-2-((...)
Show SMILES CC(=O)OC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C33H35N5O6/c1-18-12-23(40)13-19(2)24(18)15-25(34)33(43)38-16-22-9-5-4-8-21(22)14-29(38)32(42)37-28(17-44-20(3)39)30(41)31-35-26-10-6-7-11-27(26)36-31/h4-13,25,28-29,40H,14-17,34H2,1-3H3,(H,35,36)(H,37,42)/t25-,28-,29-/m0/s1
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0.0770n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297296
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C34H39N5O4/c1-19(2)13-29(31(41)32-36-27-11-7-8-12-28(27)37-32)38-33(42)30-16-22-9-5-6-10-23(22)18-39(30)34(43)26(35)17-25-20(3)14-24(40)15-21(25)4/h5-12,14-15,19,26,29-30,40H,13,16-18,35H2,1-4H3,(H,36,37)(H,38,42)/t26-,29-,30-/m0/s1
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0.0820n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297297
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)c1nc2ccccc2[nH]1 |r,w:31.33|
Show InChI InChI=1S/C34H39N9O6/c1-19-14-23(44)15-20(2)24(19)17-25(35)33(47)42-18-22-9-4-3-8-21(22)16-29(42)32(46)40-28(12-7-13-37-34(36)41-43(48)49)30(45)31-38-26-10-5-6-11-27(26)39-31/h3-6,8-11,14-15,25,28-29,44H,7,12-13,16-18,35H2,1-2H3,(H,38,39)(H,40,46)(H3,36,37,41)/t25-,28-,29-/m0/s1
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0.0950n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297296
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C34H39N5O4/c1-19(2)13-29(31(41)32-36-27-11-7-8-12-28(27)37-32)38-33(42)30-16-22-9-5-6-10-23(22)18-39(30)34(43)26(35)17-25-20(3)14-24(40)15-21(25)4/h5-12,14-15,19,26,29-30,40H,13,16-18,35H2,1-4H3,(H,36,37)(H,38,42)/t26-,29-,30-/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]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297298
PNG
((S)-N-((S)-1-(1H-benzo[d]imidazol-2-yl)-5-guanidin...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2[nH]1 |r,wU:10.11,27.29,wD:23.26,(16.14,-49.27,;16.14,-50.81,;14.79,-51.6,;14.8,-53.16,;13.46,-53.93,;16.15,-53.92,;17.48,-53.13,;18.82,-53.9,;17.47,-51.59,;18.8,-50.82,;20.14,-51.59,;20.14,-53.13,;21.47,-50.82,;21.47,-49.28,;22.81,-51.59,;22.81,-53.13,;24.14,-53.89,;24.14,-55.44,;25.48,-56.21,;26.8,-55.44,;26.8,-53.89,;25.48,-53.13,;25.48,-51.59,;24.13,-50.81,;24.13,-49.27,;22.8,-48.5,;25.46,-48.5,;25.46,-46.96,;24.13,-46.19,;22.8,-46.96,;21.47,-46.19,;20.14,-46.96,;18.81,-46.19,;18.81,-44.65,;17.47,-46.96,;26.8,-46.19,;26.8,-44.65,;28.14,-46.96,;28.3,-48.5,;29.8,-48.82,;30.59,-50.14,;32.12,-50.14,;32.88,-48.81,;32.12,-47.47,;30.58,-47.49,;29.55,-46.34,)|
Show InChI InChI=1S/C34H40N8O4/c1-19-14-23(43)15-20(2)24(19)17-25(35)33(46)42-18-22-9-4-3-8-21(22)16-29(42)32(45)41-28(12-7-13-38-34(36)37)30(44)31-39-26-10-5-6-11-27(26)40-31/h3-6,8-11,14-15,25,28-29,43H,7,12-13,16-18,35H2,1-2H3,(H,39,40)(H,41,45)(H4,36,37,38)/t25-,28-,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]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297302
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CO)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C31H33N5O5/c1-17-11-21(38)12-18(2)22(17)14-23(32)31(41)36-15-20-8-4-3-7-19(20)13-27(36)30(40)35-26(16-37)28(39)29-33-24-9-5-6-10-25(24)34-29/h3-12,23,26-27,37-38H,13-16,32H2,1-2H3,(H,33,34)(H,35,40)/t23-,26-,27-/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]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297291
PNG
((S)-1H-benzo[d]imidazol-2-yl 6-acetamido-2-((S)-2-...)
Show SMILES CC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C36H42N6O5/c1-21-16-26(44)17-22(2)27(21)19-28(37)36(47)42-20-25-11-5-4-10-24(25)18-32(42)35(46)41-31(14-8-9-15-38-23(3)43)33(45)34-39-29-12-6-7-13-30(29)40-34/h4-7,10-13,16-17,28,31-32,44H,8-9,14-15,18-20,37H2,1-3H3,(H,38,43)(H,39,40)(H,41,46)/t28-,31-,32-/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]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297300
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C39H38N6O4/c1-22-15-27(46)16-23(2)29(22)19-30(40)39(49)45-21-25-10-4-3-9-24(25)18-35(45)38(48)44-34(17-26-20-41-31-12-6-5-11-28(26)31)36(47)37-42-32-13-7-8-14-33(32)43-37/h3-16,20,30,34-35,41,46H,17-19,21,40H2,1-2H3,(H,42,43)(H,44,48)/t30-,34-,35-/m0/s1
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0.135n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297298
PNG
((S)-N-((S)-1-(1H-benzo[d]imidazol-2-yl)-5-guanidin...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2[nH]1 |r,wU:10.11,27.29,wD:23.26,(16.14,-49.27,;16.14,-50.81,;14.79,-51.6,;14.8,-53.16,;13.46,-53.93,;16.15,-53.92,;17.48,-53.13,;18.82,-53.9,;17.47,-51.59,;18.8,-50.82,;20.14,-51.59,;20.14,-53.13,;21.47,-50.82,;21.47,-49.28,;22.81,-51.59,;22.81,-53.13,;24.14,-53.89,;24.14,-55.44,;25.48,-56.21,;26.8,-55.44,;26.8,-53.89,;25.48,-53.13,;25.48,-51.59,;24.13,-50.81,;24.13,-49.27,;22.8,-48.5,;25.46,-48.5,;25.46,-46.96,;24.13,-46.19,;22.8,-46.96,;21.47,-46.19,;20.14,-46.96,;18.81,-46.19,;18.81,-44.65,;17.47,-46.96,;26.8,-46.19,;26.8,-44.65,;28.14,-46.96,;28.3,-48.5,;29.8,-48.82,;30.59,-50.14,;32.12,-50.14,;32.88,-48.81,;32.12,-47.47,;30.58,-47.49,;29.55,-46.34,)|
Show InChI InChI=1S/C34H40N8O4/c1-19-14-23(43)15-20(2)24(19)17-25(35)33(46)42-18-22-9-4-3-8-21(22)16-29(42)32(45)41-28(12-7-13-38-34(36)37)30(44)31-39-26-10-5-6-11-27(26)40-31/h3-6,8-11,14-15,25,28-29,43H,7,12-13,16-18,35H2,1-2H3,(H,39,40)(H,41,45)(H4,36,37,38)/t25-,28-,29-/m0/s1
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0.138n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297292
PNG
((3S,6R,9S,12S)-1H-benzo[d]imidazol-2-yl 1-((S)-2-(...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2[nH]1 |r,wU:41.44,52.55,63.67,wD:10.11,23.26,27.29,(11.09,-21.91,;9.76,-21.14,;8.41,-21.88,;7.06,-21.1,;5.73,-21.87,;7.08,-19.57,;8.43,-18.8,;8.43,-17.26,;9.76,-19.57,;11.09,-18.8,;11.09,-17.26,;9.76,-16.49,;12.42,-16.49,;12.42,-14.95,;13.76,-17.26,;13.72,-18.82,;15.07,-19.6,;15.07,-21.13,;16.4,-21.9,;17.73,-21.13,;17.73,-19.6,;16.4,-18.84,;16.4,-17.3,;15.08,-16.53,;15.08,-14.99,;13.75,-14.22,;16.42,-14.22,;16.42,-12.68,;17.75,-11.91,;19.09,-12.68,;20.42,-11.91,;20.42,-10.37,;21.77,-12.68,;21.76,-14.23,;23.09,-15,;20.43,-14.99,;19.09,-14.22,;17.75,-14.99,;15.08,-11.91,;15.08,-10.37,;13.75,-12.68,;12.42,-11.91,;12.42,-10.37,;13.75,-9.6,;13.75,-8.06,;15.08,-7.29,;15.08,-5.75,;16.42,-4.98,;13.75,-4.98,;11.08,-12.68,;11.08,-14.22,;9.75,-11.91,;8.41,-12.68,;8.41,-14.22,;7.08,-14.99,;7.08,-16.54,;5.73,-17.31,;4.38,-16.54,;4.38,-14.99,;5.73,-14.21,;7.08,-11.91,;5.74,-12.68,;7.08,-10.37,;5.74,-9.6,;4.41,-10.37,;4.41,-11.91,;3.08,-12.68,;3.08,-14.22,;1.74,-14.99,;5.74,-8.06,;4.41,-7.29,;7.08,-7.29,;8.49,-7.91,;9.52,-6.77,;11.06,-6.78,;11.83,-5.45,;11.06,-4.11,;9.53,-4.11,;8.76,-5.44,;7.24,-5.75,)|
Show InChI InChI=1S/C60H74N12O8/c1-34-25-41(73)26-35(2)43(34)31-45(62)59(80)72-33-40-18-9-8-17-39(40)30-52(72)58(79)71-51(32-44-36(3)27-42(74)28-37(44)4)57(78)69-49(22-14-24-65-60(63)64)55(76)70-50(29-38-15-6-5-7-16-38)56(77)68-48(21-12-13-23-61)53(75)54-66-46-19-10-11-20-47(46)67-54/h5-11,15-20,25-28,45,48-52,73-74H,12-14,21-24,29-33,61-62H2,1-4H3,(H,66,67)(H,68,77)(H,69,78)(H,70,76)(H,71,79)(H4,63,64,65)/t45-,48-,49+,50-,51-,52-/m0/s1
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0.143n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297289
PNG
((S)-1H-benzo[d]imidazol-2-yl 6-amino-2-((S)-2-((S)...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C34H40N6O4/c1-20-15-24(41)16-21(2)25(20)18-26(36)34(44)40-19-23-10-4-3-9-22(23)17-30(40)33(43)39-29(13-7-8-14-35)31(42)32-37-27-11-5-6-12-28(27)38-32/h3-6,9-12,15-16,26,29-30,41H,7-8,13-14,17-19,35-36H2,1-2H3,(H,37,38)(H,39,43)/t26-,29-,30-/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]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297302
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CO)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C31H33N5O5/c1-17-11-21(38)12-18(2)22(17)14-23(32)31(41)36-15-20-8-4-3-7-19(20)13-27(36)30(40)35-26(16-37)28(39)29-33-24-9-5-6-10-25(24)34-29/h3-12,23,26-27,37-38H,13-16,32H2,1-2H3,(H,33,34)(H,35,40)/t23-,26-,27-/m0/s1
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0.179n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297291
PNG
((S)-1H-benzo[d]imidazol-2-yl 6-acetamido-2-((S)-2-...)
Show SMILES CC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C36H42N6O5/c1-21-16-26(44)17-22(2)27(21)19-28(37)36(47)42-20-25-11-5-4-10-24(25)18-32(42)35(46)41-31(14-8-9-15-38-23(3)43)33(45)34-39-29-12-6-7-13-30(29)40-34/h4-7,10-13,16-17,28,31-32,44H,8-9,14-15,18-20,37H2,1-3H3,(H,38,43)(H,39,40)(H,41,46)/t28-,31-,32-/m0/s1
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0.180n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297299
PNG
((S)-1H-benzo[d]imidazol-2-yl 4-amino-2-((S)-2-((S)...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C32H34N6O5/c1-17-11-21(39)12-18(2)22(17)14-23(33)32(43)38-16-20-8-4-3-7-19(20)13-27(38)31(42)37-26(15-28(34)40)29(41)30-35-24-9-5-6-10-25(24)36-30/h3-12,23,26-27,39H,13-16,33H2,1-2H3,(H2,34,40)(H,35,36)(H,37,42)/t23-,26-,27-/m0/s1
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0.230n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297294
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C37H37N5O4/c1-22-16-27(43)17-23(2)28(22)20-29(38)37(46)42-21-26-13-7-6-12-25(26)19-33(42)36(45)41-32(18-24-10-4-3-5-11-24)34(44)35-39-30-14-8-9-15-31(30)40-35/h3-17,29,32-33,43H,18-21,38H2,1-2H3,(H,39,40)(H,41,45)/t29-,32-,33-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297300
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C39H38N6O4/c1-22-15-27(46)16-23(2)29(22)19-30(40)39(49)45-21-25-10-4-3-9-24(25)18-35(45)38(48)44-34(17-26-20-41-31-12-6-5-11-28(26)31)36(47)37-42-32-13-7-8-14-33(32)43-37/h3-16,20,30,34-35,41,46H,17-19,21,40H2,1-2H3,(H,42,43)(H,44,48)/t30-,34-,35-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297290
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C42H46N6O6/c1-26-20-31(49)21-27(2)32(26)23-33(43)41(52)48-24-30-15-7-6-14-29(30)22-37(48)40(51)47-36(38(50)39-45-34-16-8-9-17-35(34)46-39)18-10-11-19-44-42(53)54-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,49H,10-11,18-19,22-25,43H2,1-2H3,(H,44,53)(H,45,46)(H,47,51)/t33-,36-,37-/m0/s1
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0.370n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297287
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C31H33N5O4/c1-17-12-22(37)13-18(2)23(17)15-24(32)31(40)36-16-21-9-5-4-8-20(21)14-27(36)30(39)33-19(3)28(38)29-34-25-10-6-7-11-26(25)35-29/h4-13,19,24,27,37H,14-16,32H2,1-3H3,(H,33,39)(H,34,35)/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
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297288
PNG
((S)-4-(1H-benzo[d]imidazol-2-yloxy)-3-((S)-2-((S)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C32H33N5O6/c1-17-11-21(38)12-18(2)22(17)14-23(33)32(43)37-16-20-8-4-3-7-19(20)13-27(37)31(42)36-26(15-28(39)40)29(41)30-34-24-9-5-6-10-25(24)35-30/h3-12,23,26-27,38H,13-16,33H2,1-2H3,(H,34,35)(H,36,42)(H,39,40)/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
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297295
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C35H33N5O4/c36-27(18-23-14-16-26(41)17-15-23)35(44)40-21-25-11-5-4-10-24(25)20-31(40)34(43)39-30(19-22-8-2-1-3-9-22)32(42)33-37-28-12-6-7-13-29(28)38-33/h1-17,27,30-31,41H,18-21,36H2,(H,37,38)(H,39,43)/t27-,30-,31-/m0/s1
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0.457n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297289
PNG
((S)-1H-benzo[d]imidazol-2-yl 6-amino-2-((S)-2-((S)...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C34H40N6O4/c1-20-15-24(41)16-21(2)25(20)18-26(36)34(44)40-19-23-10-4-3-9-22(23)17-30(40)33(43)39-29(13-7-8-14-35)31(42)32-37-27-11-5-6-12-28(27)38-32/h3-6,9-12,15-16,26,29-30,41H,7-8,13-14,17-19,35-36H2,1-2H3,(H,37,38)(H,39,43)/t26-,29-,30-/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]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297286
PNG
(1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino-3-(...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C30H31N5O4/c1-17-11-21(36)12-18(2)22(17)14-23(31)30(39)35-16-20-8-4-3-7-19(20)13-26(35)29(38)32-15-27(37)28-33-24-9-5-6-10-25(24)34-28/h3-12,23,26,36H,13-16,31H2,1-2H3,(H,32,38)(H,33,34)/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 mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297290
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C42H46N6O6/c1-26-20-31(49)21-27(2)32(26)23-33(43)41(52)48-24-30-15-7-6-14-29(30)22-37(48)40(51)47-36(38(50)39-45-34-16-8-9-17-35(34)46-39)18-10-11-19-44-42(53)54-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,49H,10-11,18-19,22-25,43H2,1-2H3,(H,44,53)(H,45,46)(H,47,51)/t33-,36-,37-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297293
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-1-((S)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C60H62N8O8/c1-36-28-44(70)29-37(2)45(36)34-46(61)59(75)68-35-42-19-10-9-18-41(42)33-53(68)58(74)66-51(32-40-23-25-43(69)26-24-40)60(76)67-27-13-22-52(67)57(73)65-50(31-39-16-7-4-8-17-39)56(72)64-49(30-38-14-5-3-6-15-38)54(71)55-62-47-20-11-12-21-48(47)63-55/h3-12,14-21,23-26,28-29,46,49-53,69-70H,13,22,27,30-35,61H2,1-2H3,(H,62,63)(H,64,72)(H,65,73)(H,66,74)/t46-,49-,50-,51-,52-,53-/m0/s1
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1.33n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297303
PNG
((S)-5-(1H-benzo[d]imidazol-2-yloxy)-4-((S)-2-((S)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C33H35N5O6/c1-18-13-22(39)14-19(2)23(18)16-24(34)33(44)38-17-21-8-4-3-7-20(21)15-28(38)32(43)37-27(11-12-29(40)41)30(42)31-35-25-9-5-6-10-26(25)36-31/h3-10,13-14,24,27-28,39H,11-12,15-17,34H2,1-2H3,(H,35,36)(H,37,43)(H,40,41)/t24-,27-,28-/m0/s1
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1.45n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297295
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C35H33N5O4/c36-27(18-23-14-16-26(41)17-15-23)35(44)40-21-25-11-5-4-10-24(25)20-31(40)34(43)39-30(19-22-8-2-1-3-9-22)32(42)33-37-28-12-6-7-13-29(28)38-33/h1-17,27,30-31,41H,18-21,36H2,(H,37,38)(H,39,43)/t27-,30-,31-/m0/s1
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20.2n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297288
PNG
((S)-4-(1H-benzo[d]imidazol-2-yloxy)-3-((S)-2-((S)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C32H33N5O6/c1-17-11-21(38)12-18(2)22(17)14-23(33)32(43)37-16-20-8-4-3-7-19(20)13-27(37)31(42)36-26(15-28(39)40)29(41)30-34-24-9-5-6-10-25(24)35-30/h3-12,23,26-27,38H,13-16,33H2,1-2H3,(H,34,35)(H,36,42)(H,39,40)/t23-,26-,27-/m0/s1
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53.9n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297292
PNG
((3S,6R,9S,12S)-1H-benzo[d]imidazol-2-yl 1-((S)-2-(...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2[nH]1 |r,wU:41.44,52.55,63.67,wD:10.11,23.26,27.29,(11.09,-21.91,;9.76,-21.14,;8.41,-21.88,;7.06,-21.1,;5.73,-21.87,;7.08,-19.57,;8.43,-18.8,;8.43,-17.26,;9.76,-19.57,;11.09,-18.8,;11.09,-17.26,;9.76,-16.49,;12.42,-16.49,;12.42,-14.95,;13.76,-17.26,;13.72,-18.82,;15.07,-19.6,;15.07,-21.13,;16.4,-21.9,;17.73,-21.13,;17.73,-19.6,;16.4,-18.84,;16.4,-17.3,;15.08,-16.53,;15.08,-14.99,;13.75,-14.22,;16.42,-14.22,;16.42,-12.68,;17.75,-11.91,;19.09,-12.68,;20.42,-11.91,;20.42,-10.37,;21.77,-12.68,;21.76,-14.23,;23.09,-15,;20.43,-14.99,;19.09,-14.22,;17.75,-14.99,;15.08,-11.91,;15.08,-10.37,;13.75,-12.68,;12.42,-11.91,;12.42,-10.37,;13.75,-9.6,;13.75,-8.06,;15.08,-7.29,;15.08,-5.75,;16.42,-4.98,;13.75,-4.98,;11.08,-12.68,;11.08,-14.22,;9.75,-11.91,;8.41,-12.68,;8.41,-14.22,;7.08,-14.99,;7.08,-16.54,;5.73,-17.31,;4.38,-16.54,;4.38,-14.99,;5.73,-14.21,;7.08,-11.91,;5.74,-12.68,;7.08,-10.37,;5.74,-9.6,;4.41,-10.37,;4.41,-11.91,;3.08,-12.68,;3.08,-14.22,;1.74,-14.99,;5.74,-8.06,;4.41,-7.29,;7.08,-7.29,;8.49,-7.91,;9.52,-6.77,;11.06,-6.78,;11.83,-5.45,;11.06,-4.11,;9.53,-4.11,;8.76,-5.44,;7.24,-5.75,)|
Show InChI InChI=1S/C60H74N12O8/c1-34-25-41(73)26-35(2)43(34)31-45(62)59(80)72-33-40-18-9-8-17-39(40)30-52(72)58(79)71-51(32-44-36(3)27-42(74)28-37(44)4)57(78)69-49(22-14-24-65-60(63)64)55(76)70-50(29-38-15-6-5-7-16-38)56(77)68-48(21-12-13-23-61)53(75)54-66-46-19-10-11-20-47(46)67-54/h5-11,15-20,25-28,45,48-52,73-74H,12-14,21-24,29-33,61-62H2,1-4H3,(H,66,67)(H,68,77)(H,69,78)(H,70,76)(H,71,79)(H4,63,64,65)/t45-,48-,49+,50-,51-,52-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297293
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-1-((S)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C60H62N8O8/c1-36-28-44(70)29-37(2)45(36)34-46(61)59(75)68-35-42-19-10-9-18-41(42)33-53(68)58(74)66-51(32-40-23-25-43(69)26-24-40)60(76)67-27-13-22-52(67)57(73)65-50(31-39-16-7-4-8-17-39)56(72)64-49(30-38-14-5-3-6-15-38)54(71)55-62-47-20-11-12-21-48(47)63-55/h3-12,14-21,23-26,28-29,46,49-53,69-70H,13,22,27,30-35,61H2,1-2H3,(H,62,63)(H,64,72)(H,65,73)(H,66,74)/t46-,49-,50-,51-,52-,53-/m0/s1
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6.09E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50297288
PNG
((S)-4-(1H-benzo[d]imidazol-2-yloxy)-3-((S)-2-((S)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C32H33N5O6/c1-17-11-21(38)12-18(2)22(17)14-23(33)32(43)37-16-20-8-4-3-7-19(20)13-27(37)31(42)36-26(15-28(39)40)29(41)30-34-24-9-5-6-10-25(24)35-30/h3-12,23,26-27,38H,13-16,33H2,1-2H3,(H,34,35)(H,36,42)(H,39,40)/t23-,26-,27-/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked contraction


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50297286
PNG
(1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino-3-(...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C30H31N5O4/c1-17-11-21(36)12-18(2)22(17)14-23(31)30(39)35-16-20-8-4-3-7-19(20)13-26(35)29(38)32-15-27(37)28-33-24-9-5-6-10-25(24)34-28/h3-12,23,26,36H,13-16,31H2,1-2H3,(H,32,38)(H,33,34)/t23-,26-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked contraction


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50297287
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C31H33N5O4/c1-17-12-22(37)13-18(2)23(17)15-24(32)31(40)36-16-21-9-5-4-8-20(21)14-27(36)30(39)33-19(3)28(38)29-34-25-10-6-7-11-26(25)35-29/h4-13,19,24,27,37H,14-16,32H2,1-3H3,(H,33,39)(H,34,35)/t19-,24-,27-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked contraction


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50297292
PNG
((3S,6R,9S,12S)-1H-benzo[d]imidazol-2-yl 1-((S)-2-(...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2[nH]1 |r,wU:41.44,52.55,63.67,wD:10.11,23.26,27.29,(11.09,-21.91,;9.76,-21.14,;8.41,-21.88,;7.06,-21.1,;5.73,-21.87,;7.08,-19.57,;8.43,-18.8,;8.43,-17.26,;9.76,-19.57,;11.09,-18.8,;11.09,-17.26,;9.76,-16.49,;12.42,-16.49,;12.42,-14.95,;13.76,-17.26,;13.72,-18.82,;15.07,-19.6,;15.07,-21.13,;16.4,-21.9,;17.73,-21.13,;17.73,-19.6,;16.4,-18.84,;16.4,-17.3,;15.08,-16.53,;15.08,-14.99,;13.75,-14.22,;16.42,-14.22,;16.42,-12.68,;17.75,-11.91,;19.09,-12.68,;20.42,-11.91,;20.42,-10.37,;21.77,-12.68,;21.76,-14.23,;23.09,-15,;20.43,-14.99,;19.09,-14.22,;17.75,-14.99,;15.08,-11.91,;15.08,-10.37,;13.75,-12.68,;12.42,-11.91,;12.42,-10.37,;13.75,-9.6,;13.75,-8.06,;15.08,-7.29,;15.08,-5.75,;16.42,-4.98,;13.75,-4.98,;11.08,-12.68,;11.08,-14.22,;9.75,-11.91,;8.41,-12.68,;8.41,-14.22,;7.08,-14.99,;7.08,-16.54,;5.73,-17.31,;4.38,-16.54,;4.38,-14.99,;5.73,-14.21,;7.08,-11.91,;5.74,-12.68,;7.08,-10.37,;5.74,-9.6,;4.41,-10.37,;4.41,-11.91,;3.08,-12.68,;3.08,-14.22,;1.74,-14.99,;5.74,-8.06,;4.41,-7.29,;7.08,-7.29,;8.49,-7.91,;9.52,-6.77,;11.06,-6.78,;11.83,-5.45,;11.06,-4.11,;9.53,-4.11,;8.76,-5.44,;7.24,-5.75,)|
Show InChI InChI=1S/C60H74N12O8/c1-34-25-41(73)26-35(2)43(34)31-45(62)59(80)72-33-40-18-9-8-17-39(40)30-52(72)58(79)71-51(32-44-36(3)27-42(74)28-37(44)4)57(78)69-49(22-14-24-65-60(63)64)55(76)70-50(29-38-15-6-5-7-16-38)56(77)68-48(21-12-13-23-61)53(75)54-66-46-19-10-11-20-47(46)67-54/h5-11,15-20,25-28,45,48-52,73-74H,12-14,21-24,29-33,61-62H2,1-4H3,(H,66,67)(H,68,77)(H,69,78)(H,70,76)(H,71,79)(H4,63,64,65)/t45-,48-,49+,50-,51-,52-/m0/s1
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n/an/a 1.41n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig longitudinal muscle myenteric plexus assessed as inhibition of electrically evoked contr...


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50297293
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-1-((S)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C60H62N8O8/c1-36-28-44(70)29-37(2)45(36)34-46(61)59(75)68-35-42-19-10-9-18-41(42)33-53(68)58(74)66-51(32-40-23-25-43(69)26-24-40)60(76)67-27-13-22-52(67)57(73)65-50(31-39-16-7-4-8-17-39)56(72)64-49(30-38-14-5-3-6-15-38)54(71)55-62-47-20-11-12-21-48(47)63-55/h3-12,14-21,23-26,28-29,46,49-53,69-70H,13,22,27,30-35,61H2,1-2H3,(H,62,63)(H,64,72)(H,65,73)(H,66,74)/t46-,49-,50-,51-,52-,53-/m0/s1
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n/an/a 6.90n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig longitudinal muscle myenteric plexus assessed as inhibition of electrically evoked contr...


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50297301
PNG
((S)-1H-benzo[d]imidazol-2-yl 3-acetoxy-2-((S)-2-((...)
Show SMILES CC(=O)OC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C33H35N5O6/c1-18-12-23(40)13-19(2)24(18)15-25(34)33(43)38-16-22-9-5-4-8-21(22)14-29(38)32(42)37-28(17-44-20(3)39)30(41)31-35-26-10-6-7-11-27(26)36-31/h4-13,25,28-29,40H,14-17,34H2,1-3H3,(H,35,36)(H,37,42)/t25-,28-,29-/m0/s1
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n/an/a 7.84n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig longitudinal muscle myenteric plexus assessed as inhibition of electrically evoked contr...


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50297299
PNG
((S)-1H-benzo[d]imidazol-2-yl 4-amino-2-((S)-2-((S)...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C32H34N6O5/c1-17-11-21(39)12-18(2)22(17)14-23(33)32(43)38-16-20-8-4-3-7-19(20)13-27(38)31(42)37-26(15-28(34)40)29(41)30-35-24-9-5-6-10-25(24)36-30/h3-12,23,26-27,39H,13-16,33H2,1-2H3,(H2,34,40)(H,35,36)(H,37,42)/t23-,26-,27-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig longitudinal muscle myenteric plexus assessed as inhibition of electrically evoked contr...


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50297298
PNG
((S)-N-((S)-1-(1H-benzo[d]imidazol-2-yl)-5-guanidin...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2[nH]1 |r,wU:10.11,27.29,wD:23.26,(16.14,-49.27,;16.14,-50.81,;14.79,-51.6,;14.8,-53.16,;13.46,-53.93,;16.15,-53.92,;17.48,-53.13,;18.82,-53.9,;17.47,-51.59,;18.8,-50.82,;20.14,-51.59,;20.14,-53.13,;21.47,-50.82,;21.47,-49.28,;22.81,-51.59,;22.81,-53.13,;24.14,-53.89,;24.14,-55.44,;25.48,-56.21,;26.8,-55.44,;26.8,-53.89,;25.48,-53.13,;25.48,-51.59,;24.13,-50.81,;24.13,-49.27,;22.8,-48.5,;25.46,-48.5,;25.46,-46.96,;24.13,-46.19,;22.8,-46.96,;21.47,-46.19,;20.14,-46.96,;18.81,-46.19,;18.81,-44.65,;17.47,-46.96,;26.8,-46.19,;26.8,-44.65,;28.14,-46.96,;28.3,-48.5,;29.8,-48.82,;30.59,-50.14,;32.12,-50.14,;32.88,-48.81,;32.12,-47.47,;30.58,-47.49,;29.55,-46.34,)|
Show InChI InChI=1S/C34H40N8O4/c1-19-14-23(43)15-20(2)24(19)17-25(35)33(46)42-18-22-9-4-3-8-21(22)16-29(42)32(45)41-28(12-7-13-38-34(36)37)30(44)31-39-26-10-5-6-11-27(26)40-31/h3-6,8-11,14-15,25,28-29,43H,7,12-13,16-18,35H2,1-2H3,(H,39,40)(H,41,45)(H4,36,37,38)/t25-,28-,29-/m0/s1
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n/an/a 10.2n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig longitudinal muscle myenteric plexus assessed as inhibition of electrically evoked contr...


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50297292
PNG
((3S,6R,9S,12S)-1H-benzo[d]imidazol-2-yl 1-((S)-2-(...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2[nH]1 |r,wU:41.44,52.55,63.67,wD:10.11,23.26,27.29,(11.09,-21.91,;9.76,-21.14,;8.41,-21.88,;7.06,-21.1,;5.73,-21.87,;7.08,-19.57,;8.43,-18.8,;8.43,-17.26,;9.76,-19.57,;11.09,-18.8,;11.09,-17.26,;9.76,-16.49,;12.42,-16.49,;12.42,-14.95,;13.76,-17.26,;13.72,-18.82,;15.07,-19.6,;15.07,-21.13,;16.4,-21.9,;17.73,-21.13,;17.73,-19.6,;16.4,-18.84,;16.4,-17.3,;15.08,-16.53,;15.08,-14.99,;13.75,-14.22,;16.42,-14.22,;16.42,-12.68,;17.75,-11.91,;19.09,-12.68,;20.42,-11.91,;20.42,-10.37,;21.77,-12.68,;21.76,-14.23,;23.09,-15,;20.43,-14.99,;19.09,-14.22,;17.75,-14.99,;15.08,-11.91,;15.08,-10.37,;13.75,-12.68,;12.42,-11.91,;12.42,-10.37,;13.75,-9.6,;13.75,-8.06,;15.08,-7.29,;15.08,-5.75,;16.42,-4.98,;13.75,-4.98,;11.08,-12.68,;11.08,-14.22,;9.75,-11.91,;8.41,-12.68,;8.41,-14.22,;7.08,-14.99,;7.08,-16.54,;5.73,-17.31,;4.38,-16.54,;4.38,-14.99,;5.73,-14.21,;7.08,-11.91,;5.74,-12.68,;7.08,-10.37,;5.74,-9.6,;4.41,-10.37,;4.41,-11.91,;3.08,-12.68,;3.08,-14.22,;1.74,-14.99,;5.74,-8.06,;4.41,-7.29,;7.08,-7.29,;8.49,-7.91,;9.52,-6.77,;11.06,-6.78,;11.83,-5.45,;11.06,-4.11,;9.53,-4.11,;8.76,-5.44,;7.24,-5.75,)|
Show InChI InChI=1S/C60H74N12O8/c1-34-25-41(73)26-35(2)43(34)31-45(62)59(80)72-33-40-18-9-8-17-39(40)30-52(72)58(79)71-51(32-44-36(3)27-42(74)28-37(44)4)57(78)69-49(22-14-24-65-60(63)64)55(76)70-50(29-38-15-6-5-7-16-38)56(77)68-48(21-12-13-23-61)53(75)54-66-46-19-10-11-20-47(46)67-54/h5-11,15-20,25-28,45,48-52,73-74H,12-14,21-24,29-33,61-62H2,1-4H3,(H,66,67)(H,68,77)(H,69,78)(H,70,76)(H,71,79)(H4,63,64,65)/t45-,48-,49+,50-,51-,52-/m0/s1
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n/an/a 23.1n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked contraction


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50297296
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C34H39N5O4/c1-19(2)13-29(31(41)32-36-27-11-7-8-12-28(27)37-32)38-33(42)30-16-22-9-5-6-10-23(22)18-39(30)34(43)26(35)17-25-20(3)14-24(40)15-21(25)4/h5-12,14-15,19,26,29-30,40H,13,16-18,35H2,1-4H3,(H,36,37)(H,38,42)/t26-,29-,30-/m0/s1
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n/an/a 23.4n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig longitudinal muscle myenteric plexus assessed as inhibition of electrically evoked contr...


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50297286
PNG
(1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino-3-(...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C30H31N5O4/c1-17-11-21(36)12-18(2)22(17)14-23(31)30(39)35-16-20-8-4-3-7-19(20)13-26(35)29(38)32-15-27(37)28-33-24-9-5-6-10-25(24)34-28/h3-12,23,26,36H,13-16,31H2,1-2H3,(H,32,38)(H,33,34)/t23-,26-/m0/s1
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n/an/a 26.9n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig longitudinal muscle myenteric plexus assessed as inhibition of electrically evoked contr...


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50297302
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CO)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C31H33N5O5/c1-17-11-21(38)12-18(2)22(17)14-23(32)31(41)36-15-20-8-4-3-7-19(20)13-27(36)30(40)35-26(16-37)28(39)29-33-24-9-5-6-10-25(24)34-29/h3-12,23,26-27,37-38H,13-16,32H2,1-2H3,(H,33,34)(H,35,40)/t23-,26-,27-/m0/s1
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n/an/a 34.9n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig longitudinal muscle myenteric plexus assessed as inhibition of electrically evoked contr...


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50297300
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C39H38N6O4/c1-22-15-27(46)16-23(2)29(22)19-30(40)39(49)45-21-25-10-4-3-9-24(25)18-35(45)38(48)44-34(17-26-20-41-31-12-6-5-11-28(26)31)36(47)37-42-32-13-7-8-14-33(32)43-37/h3-16,20,30,34-35,41,46H,17-19,21,40H2,1-2H3,(H,42,43)(H,44,48)/t30-,34-,35-/m0/s1
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n/an/a 35.4n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig longitudinal muscle myenteric plexus assessed as inhibition of electrically evoked contr...


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50297289
PNG
((S)-1H-benzo[d]imidazol-2-yl 6-amino-2-((S)-2-((S)...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C34H40N6O4/c1-20-15-24(41)16-21(2)25(20)18-26(36)34(44)40-19-23-10-4-3-9-22(23)17-30(40)33(43)39-29(13-7-8-14-35)31(42)32-37-27-11-5-6-12-28(27)38-32/h3-6,9-12,15-16,26,29-30,41H,7-8,13-14,17-19,35-36H2,1-2H3,(H,37,38)(H,39,43)/t26-,29-,30-/m0/s1
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n/an/a 39.7n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig longitudinal muscle myenteric plexus assessed as inhibition of electrically evoked contr...


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
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