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Compile Data Set for Download or QSAR

Found 272 hits with Last Name = 'marczak' and Initial = 'ed'   
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))
BDBM50375695
PNG
(CHEMBL270984)
Show SMILES Cc1cc(O)cc(O)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C43H49N5O9/c1-27-20-32(49)23-38(50)33(27)24-34(44)41(53)48-25-31-17-9-8-16-30(31)22-37(48)40(52)47-36(21-28-12-4-2-5-13-28)39(51)46-35(42(54)55)18-10-11-19-45-43(56)57-26-29-14-6-3-7-15-29/h2-9,12-17,20,23,34-37,49-50H,10-11,18-19,21-22,24-26,44H2,1H3,(H,45,56)(H,46,51)(H,47,52)(H,54,55)/t34-,35-,36-,37+/m0/s1
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0.0190n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 1817-23 (2008)


Article DOI: 10.1021/jm7014765
BindingDB Entry DOI: 10.7270/Q24T6K7K
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



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
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
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 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
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))
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]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
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 Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 3032-8 (2008)


Article DOI: 10.1016/j.bmc.2007.12.032
BindingDB Entry DOI: 10.7270/Q2NZ88H7
More data for this
Ligand-Target Pair
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))
BDBM50272171
PNG
(CHEMBL501202 | H-Dmt-Tic-Asp-NH-Ph)
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)Nc1ccccc1 |r|
Show InChI InChI=1S/C31H34N4O6/c1-18-12-23(36)13-19(2)24(18)15-25(32)31(41)35-17-21-9-7-6-8-20(21)14-27(35)30(40)34-26(16-28(37)38)29(39)33-22-10-4-3-5-11-22/h3-13,25-27,36H,14-17,32H2,1-2H3,(H,33,39)(H,34,40)(H,37,38)/t25-,26-,27-/m0/s1
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0.0360n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
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))
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



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
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))
BDBM50272230
PNG
(CHEMBL450566 | H-Dmt-Tic-Asp-NH-Bzl)
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)NCc1ccccc1 |r|
Show InChI InChI=1S/C32H36N4O6/c1-19-12-24(37)13-20(2)25(19)15-26(33)32(42)36-18-23-11-7-6-10-22(23)14-28(36)31(41)35-27(16-29(38)39)30(40)34-17-21-8-4-3-5-9-21/h3-13,26-28,37H,14-18,33H2,1-2H3,(H,34,40)(H,35,41)(H,38,39)/t26-,27-,28-/m0/s1
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0.0540n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272224
PNG
(CHEMBL498799 | H-Dmt-Tic-D-Asp-NH-Ph)
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)Nc1ccccc1 |r|
Show InChI InChI=1S/C31H34N4O6/c1-18-12-23(36)13-19(2)24(18)15-25(32)31(41)35-17-21-9-7-6-8-20(21)14-27(35)30(40)34-26(16-28(37)38)29(39)33-22-10-4-3-5-11-22/h3-13,25-27,36H,14-17,32H2,1-2H3,(H,33,39)(H,34,40)(H,37,38)/t25-,26+,27-/m0/s1
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0.0580n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272227
PNG
(CHEMBL450263 | H-Dmt-Tic-NH-(S)CH(CH2-COOH)-Bid(N1...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C32H35N5O5/c1-18-12-22(38)13-19(2)23(18)15-24(33)32(42)37-17-21-9-5-4-8-20(21)14-28(37)31(41)35-26(16-29(39)40)30-34-25-10-6-7-11-27(25)36(30)3/h4-13,24,26,28,38H,14-17,33H2,1-3H3,(H,35,41)(H,39,40)/t24-,26-,28-/m0/s1
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0.0590n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50375294
PNG
(CHEMBL408975)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cc2ccccc2[nH]1
Show InChI InChI=1S/C30H32N4O3/c1-18-11-24(35)12-19(2)25(18)15-26(31)30(37)34-17-22-9-4-3-7-20(22)14-28(34)29(36)32-16-23-13-21-8-5-6-10-27(21)33-23/h3-13,26,28,33,35H,14-17,31H2,1-2H3,(H,32,36)/t26-,28-/m0/s1
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0.0660n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 3032-8 (2008)


Article DOI: 10.1016/j.bmc.2007.12.032
BindingDB Entry DOI: 10.7270/Q2NZ88H7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272229
PNG
(CHEMBL444197 | H-Dmt-Tic-NH-(R)CH(CH2-COOH)-Bid)
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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0.0670n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272228
PNG
(CHEMBL499099 | H-Dmt-Tic-NH-(R)CH(CH2-COOH)-Bid(N1...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CC(O)=O)c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C32H35N5O5/c1-18-12-22(38)13-19(2)23(18)15-24(33)32(42)37-17-21-9-5-4-8-20(21)14-28(37)31(41)35-26(16-29(39)40)30-34-25-10-6-7-11-27(25)36(30)3/h4-13,24,26,28,38H,14-17,33H2,1-3H3,(H,35,41)(H,39,40)/t24-,26+,28-/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272226
PNG
(CHEMBL502302 | H-Dmt-Tic-D-Asp-N(Me)-Ph)
Show SMILES CN(C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
Show InChI InChI=1S/C32H36N4O6/c1-19-13-24(37)14-20(2)25(19)16-26(33)31(41)36-18-22-10-8-7-9-21(22)15-28(36)30(40)34-27(17-29(38)39)32(42)35(3)23-11-5-4-6-12-23/h4-14,26-28,37H,15-18,33H2,1-3H3,(H,34,40)(H,38,39)/t26-,27+,28-/m0/s1
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0.0840n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50375295
PNG
(CHEMBL407957)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ncc[nH]1
Show InChI InChI=1S/C25H29N5O3/c1-15-9-19(31)10-16(2)20(15)12-21(26)25(33)30-14-18-6-4-3-5-17(18)11-22(30)24(32)29-13-23-27-7-8-28-23/h3-10,21-22,31H,11-14,26H2,1-2H3,(H,27,28)(H,29,32)/t21-,22-/m0/s1
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0.114n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 3032-8 (2008)


Article DOI: 10.1016/j.bmc.2007.12.032
BindingDB Entry DOI: 10.7270/Q2NZ88H7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50324028
PNG
((S)-2-((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dime...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C23H28N2O4/c1-14-9-18(26)10-15(2)19(14)12-20(24(3)4)22(27)25-13-17-8-6-5-7-16(17)11-21(25)23(28)29/h5-10,20-21,26H,11-13H2,1-4H3,(H,28,29)/t20-,21-/m0/s1
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0.118n/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


Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
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))
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
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
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272170
PNG
(CHEMBL500937 | H-Dmt-Tic-Gly-N(Me)-Ph)
Show SMILES CN(C(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O4/c1-19-13-24(35)14-20(2)25(19)16-26(31)30(38)34-18-22-10-8-7-9-21(22)15-27(34)29(37)32-17-28(36)33(3)23-11-5-4-6-12-23/h4-14,26-27,35H,15-18,31H2,1-3H3,(H,32,37)/t26-,27-/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]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50375296
PNG
(CHEMBL258704)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2s1
Show InChI InChI=1S/C29H30N4O3S/c1-17-11-21(34)12-18(2)22(17)14-23(30)29(36)33-16-20-8-4-3-7-19(20)13-25(33)28(35)31-15-27-32-24-9-5-6-10-26(24)37-27/h3-12,23,25,34H,13-16,30H2,1-2H3,(H,31,35)/t23-,25-/m0/s1
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0.145n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 3032-8 (2008)


Article DOI: 10.1016/j.bmc.2007.12.032
BindingDB Entry DOI: 10.7270/Q2NZ88H7
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
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



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 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
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



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 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50324023
PNG
((2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-ami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C49H67N9O12/c1-25(2)41(48(69)52-24-39(51)61)58-49(70)42(26(3)4)57-45(66)36(17-18-40(62)63)54-47(68)38(21-30-11-9-8-10-12-30)55-43(64)29(7)53-46(67)37(22-31-13-15-32(59)16-14-31)56-44(65)35(50)23-34-27(5)19-33(60)20-28(34)6/h8-16,19-20,25-26,29,35-38,41-42,59-60H,17-18,21-24,50H2,1-7H3,(H2,51,61)(H,52,69)(H,53,67)(H,54,68)(H,55,64)(H,56,65)(H,57,66)(H,58,70)(H,62,63)/t29-,35+,36+,37+,38+,41+,42+/m1/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 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50375297
PNG
(CHEMBL260127)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC1Cc2ccccc2C1
Show InChI InChI=1S/C31H35N3O3/c1-19-11-26(35)12-20(2)27(19)16-28(32)31(37)34-18-25-10-6-5-9-24(25)15-29(34)30(36)33-17-21-13-22-7-3-4-8-23(22)14-21/h3-12,21,28-29,35H,13-18,32H2,1-2H3,(H,33,36)/t28-,29-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 3032-8 (2008)


Article DOI: 10.1016/j.bmc.2007.12.032
BindingDB Entry DOI: 10.7270/Q2NZ88H7
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
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50324019
PNG
((S)-3-((S)-2-((S)-2-amino-3-(2,6-difluoro-4-hydrox...)
Show SMILES N[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H27F2N5O5/c30-19-10-17(37)11-20(31)18(19)12-21(32)29(41)36-14-16-6-2-1-5-15(16)9-25(36)28(40)35-24(13-26(38)39)27-33-22-7-3-4-8-23(22)34-27/h1-8,10-11,21,24-25,37H,9,12-14,32H2,(H,33,34)(H,35,40)(H,38,39)/t21-,24-,25-/m0/s1
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0.162n/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


Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50375694
PNG
(CHEMBL244265)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C34H39FN4O6/c1-20-15-26(40)16-21(2)27(20)18-28(36)33(43)39-19-24-8-4-3-7-23(24)17-30(39)32(42)37-14-6-5-9-29(34(44)45)38-31(41)22-10-12-25(35)13-11-22/h3-4,7-8,10-13,15-16,28-30,40H,5-6,9,14,17-19,36H2,1-2H3,(H,37,42)(H,38,41)(H,44,45)/t28-,29-,30+/m0/s1
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0.172n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 1817-23 (2008)


Article DOI: 10.1021/jm7014765
BindingDB Entry DOI: 10.7270/Q24T6K7K
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50324020
PNG
((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propa...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H29N5O5/c30-21(13-17-9-11-20(35)12-10-17)29(39)34-16-19-6-2-1-5-18(19)14-25(34)28(38)33-24(15-26(36)37)27-31-22-7-3-4-8-23(22)32-27/h1-12,21,24-25,35H,13-16,30H2,(H,31,32)(H,33,38)(H,36,37)/t21-,24-,25-/m0/s1
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0.177n/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


Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272225
PNG
(CHEMBL448360 | H-Dmt-Tic-Asp-N(Me)-Ph)
Show SMILES CN(C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
Show InChI InChI=1S/C32H36N4O6/c1-19-13-24(37)14-20(2)25(19)16-26(33)31(41)36-18-22-10-8-7-9-21(22)15-28(36)30(40)34-27(17-29(38)39)32(42)35(3)23-11-5-4-6-12-23/h4-14,26-28,37H,15-18,33H2,1-3H3,(H,34,40)(H,38,39)/t26-,27-,28-/m0/s1
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0.186n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50375297
PNG
(CHEMBL260127)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC1Cc2ccccc2C1
Show InChI InChI=1S/C31H35N3O3/c1-19-11-26(35)12-20(2)27(19)16-28(32)31(37)34-18-25-10-6-5-9-24(25)15-29(34)30(36)33-17-21-13-22-7-3-4-8-23(22)14-21/h3-12,21,28-29,35H,13-18,32H2,1-2H3,(H,33,36)/t28-,29-/m0/s1
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0.199n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 3032-8 (2008)


Article DOI: 10.1016/j.bmc.2007.12.032
BindingDB Entry DOI: 10.7270/Q2NZ88H7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50299565
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)=O |r|
Show InChI InChI=1S/C21H24N2O4/c1-12-7-16(24)8-13(2)17(12)10-18(22)20(25)23-11-15-6-4-3-5-14(15)9-19(23)21(26)27/h3-8,18-19,24H,9-11,22H2,1-2H3,(H,26,27)/t18-,19-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain membranes


Bioorg Med Chem Lett 20: 1610-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.055
BindingDB Entry DOI: 10.7270/Q2H995BB
More data for this
Ligand-Target Pair
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