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Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'maes' and Initial = 'bu'   
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
Mu-type opioid receptor


(MOUSE)
BDBM50274729
PNG
(CHEMBL4128945)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C29H39F3N8O5/c1-15-10-19(41)11-16(2)20(15)13-21(33)25(43)39-22(4-3-9-37-28(35)36)27(45)40-23(26(44)38-14-24(34)42)12-17-5-7-18(8-6-17)29(30,31)32/h5-8,10-11,21-23,41H,3-4,9,12-14,33H2,1-2H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t21-,22+,23-/m0/s1
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n/an/a 0.0700n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274686
PNG
(CHEMBL4129679)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C28H39N7O6/c1-16-11-19(36)12-17(2)20(16)14-21(29)25(39)34-22(9-6-10-32-28(30)31)27(41)35-23(26(40)33-15-24(37)38)13-18-7-4-3-5-8-18/h3-5,7-8,11-12,21-23,36H,6,9-10,13-15,29H2,1-2H3,(H,33,40)(H,34,39)(H,35,41)(H,37,38)(H4,30,31,32)/t21-,22+,23-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274689
PNG
(CHEMBL4126050)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C25H32N4O6/c1-14-9-18(30)10-15(2)19(14)12-20(26)24(34)28-16(3)23(33)29-21(25(35)27-13-22(31)32)11-17-7-5-4-6-8-17/h4-10,16,20-21,30H,11-13,26H2,1-3H3,(H,27,35)(H,28,34)(H,29,33)(H,31,32)/t16-,20+,21+/m1/s1
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n/an/a 0.140n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009146
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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n/an/a 0.147n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vasa deferens assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274694
PNG
(CHEMBL4129901)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-5-18-8-6-7-9-19(18)12-23(27(37)30-14-24(29)34)32-25(35)17(4)31-26(36)22(28)13-21-15(2)10-20(33)11-16(21)3/h5-11,17,22-23,33H,1,12-14,28H2,2-4H3,(H2,29,34)(H,30,37)(H,31,36)(H,32,35)/t17-,22+,23+/m1/s1
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n/an/a 0.25n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50274686
PNG
(CHEMBL4129679)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C28H39N7O6/c1-16-11-19(36)12-17(2)20(16)14-21(29)25(39)34-22(9-6-10-32-28(30)31)27(41)35-23(26(40)33-15-24(37)38)13-18-7-4-3-5-8-18/h3-5,7-8,11-12,21-23,36H,6,9-10,13-15,29H2,1-2H3,(H,33,40)(H,34,39)(H,35,41)(H,37,38)(H4,30,31,32)/t21-,22+,23-/m0/s1
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n/an/a 0.316n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vasa deferens assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274741
PNG
(CHEMBL4126470)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C31H37N5O5/c1-18-13-23(37)14-19(2)25(18)16-26(32)30(40)35-20(3)29(39)36-27(31(41)34-17-28(33)38)15-22-11-7-8-12-24(22)21-9-5-4-6-10-21/h4-14,20,26-27,37H,15-17,32H2,1-3H3,(H2,33,38)(H,34,41)(H,35,40)(H,36,39)/t20-,26+,27+/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274695
PNG
(CHEMBL4127702)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C28H39ClN8O5/c1-15-10-19(38)11-16(2)20(15)13-21(30)25(40)36-22(4-3-9-34-28(32)33)27(42)37-23(26(41)35-14-24(31)39)12-17-5-7-18(29)8-6-17/h5-8,10-11,21-23,38H,3-4,9,12-14,30H2,1-2H3,(H2,31,39)(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t21-,22+,23-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274679
PNG
(CHEMBL4128530)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N(C)[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C28H37N5O5/c1-6-19-9-7-8-10-20(19)13-24(27(37)31-15-25(30)35)33(5)28(38)18(4)32-26(36)23(29)14-22-16(2)11-21(34)12-17(22)3/h6-12,18,23-24,34H,1,13-15,29H2,2-5H3,(H2,30,35)(H,31,37)(H,32,36)/t18-,23+,24+/m1/s1
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n/an/a 0.360n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50274696
PNG
(CHEMBL4126102)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C30H42N8O5/c1-4-19-8-5-6-9-20(19)14-25(28(42)36-16-26(32)40)38-29(43)24(10-7-11-35-30(33)34)37-27(41)23(31)15-22-17(2)12-21(39)13-18(22)3/h4-6,8-9,12-13,23-25,39H,1,7,10-11,14-16,31H2,2-3H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H4,33,34,35)/t23-,24+,25-/m0/s1
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n/an/a 0.389n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50274696
PNG
(CHEMBL4126102)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C30H42N8O5/c1-4-19-8-5-6-9-20(19)14-25(28(42)36-16-26(32)40)38-29(43)24(10-7-11-35-30(33)34)37-27(41)23(31)15-22-17(2)12-21(39)13-18(22)3/h4-6,8-9,12-13,23-25,39H,1,7,10-11,14-16,31H2,2-3H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H4,33,34,35)/t23-,24+,25-/m0/s1
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n/an/a 0.406n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vasa deferens assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274693
PNG
(CHEMBL4126249)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cccc(C=C)c1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C30H42N8O5/c1-4-19-7-5-8-20(13-19)14-25(28(42)36-16-26(32)40)38-29(43)24(9-6-10-35-30(33)34)37-27(41)23(31)15-22-17(2)11-21(39)12-18(22)3/h4-5,7-8,11-13,23-25,39H,1,6,9-10,14-16,31H2,2-3H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H4,33,34,35)/t23-,24+,25-/m0/s1
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n/an/a 0.460n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274696
PNG
(CHEMBL4126102)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C30H42N8O5/c1-4-19-8-5-6-9-20(19)14-25(28(42)36-16-26(32)40)38-29(43)24(10-7-11-35-30(33)34)37-27(41)23(31)15-22-17(2)12-21(39)13-18(22)3/h4-6,8-9,12-13,23-25,39H,1,7,10-11,14-16,31H2,2-3H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H4,33,34,35)/t23-,24+,25-/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274739
PNG
(CHEMBL4127485)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(N)=O)cc1 |r|
Show InChI InChI=1S/C29H42N8O6/c1-16-11-19(38)12-17(2)21(16)14-22(30)26(40)36-23(5-4-10-34-29(32)33)28(42)37-24(27(41)35-15-25(31)39)13-18-6-8-20(43-3)9-7-18/h6-9,11-12,22-24,38H,4-5,10,13-15,30H2,1-3H3,(H2,31,39)(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t22-,23+,24-/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274732
PNG
(CHEMBL4127547)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C28H39FN8O5/c1-15-10-19(38)11-16(2)20(15)13-21(30)25(40)36-22(4-3-9-34-28(32)33)27(42)37-23(26(41)35-14-24(31)39)12-17-5-7-18(29)8-6-17/h5-8,10-11,21-23,38H,3-4,9,12-14,30H2,1-2H3,(H2,31,39)(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t21-,22+,23-/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274733
PNG
(CHEMBL4127080)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C34H44N8O5/c1-20-15-24(43)16-21(2)26(20)18-27(35)31(45)41-28(13-8-14-39-34(37)38)33(47)42-29(32(46)40-19-30(36)44)17-23-11-6-7-12-25(23)22-9-4-3-5-10-22/h3-7,9-12,15-16,27-29,43H,8,13-14,17-19,35H2,1-2H3,(H2,36,44)(H,40,46)(H,41,45)(H,42,47)(H4,37,38,39)/t27-,28+,29-/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274731
PNG
(CHEMBL4126322)
Show SMILES [#6]\[#6](-[#6])=[#6]\c1ccccc1-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C32H46N8O5/c1-18(2)12-21-8-5-6-9-22(21)15-27(30(44)38-17-28(34)42)40-31(45)26(10-7-11-37-32(35)36)39-29(43)25(33)16-24-19(3)13-23(41)14-20(24)4/h5-6,8-9,12-14,25-27,41H,7,10-11,15-17,33H2,1-4H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t25-,26+,27-/m0/s1
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n/an/a 0.570n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50274731
PNG
(CHEMBL4126322)
Show SMILES [#6]\[#6](-[#6])=[#6]\c1ccccc1-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C32H46N8O5/c1-18(2)12-21-8-5-6-9-22(21)15-27(30(44)38-17-28(34)42)40-31(45)26(10-7-11-37-32(35)36)39-29(43)25(33)16-24-19(3)13-23(41)14-20(24)4/h5-6,8-9,12-14,25-27,41H,7,10-11,15-17,33H2,1-4H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t25-,26+,27-/m0/s1
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n/an/a 0.630n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vasa deferens assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50274679
PNG
(CHEMBL4128530)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N(C)[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C28H37N5O5/c1-6-19-9-7-8-10-20(19)13-24(27(37)31-15-25(30)35)33(5)28(38)18(4)32-26(36)23(29)14-22-16(2)11-21(34)12-17(22)3/h6-12,18,23-24,34H,1,13-15,29H2,2-5H3,(H2,30,35)(H,31,37)(H,32,36)/t18-,23+,24+/m1/s1
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n/an/a 0.641n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50274679
PNG
(CHEMBL4128530)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N(C)[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C28H37N5O5/c1-6-19-9-7-8-10-20(19)13-24(27(37)31-15-25(30)35)33(5)28(38)18(4)32-26(36)23(29)14-22-16(2)11-21(34)12-17(22)3/h6-12,18,23-24,34H,1,13-15,29H2,2-5H3,(H2,30,35)(H,31,37)(H,32,36)/t18-,23+,24+/m1/s1
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n/an/a 0.689n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vasa deferens assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50274731
PNG
(CHEMBL4126322)
Show SMILES [#6]\[#6](-[#6])=[#6]\c1ccccc1-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C32H46N8O5/c1-18(2)12-21-8-5-6-9-22(21)15-27(30(44)38-17-28(34)42)40-31(45)26(10-7-11-37-32(35)36)39-29(43)25(33)16-24-19(3)13-23(41)14-20(24)4/h5-6,8-9,12-14,25-27,41H,7,10-11,15-17,33H2,1-4H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t25-,26+,27-/m0/s1
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n/an/a 0.701n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50274732
PNG
(CHEMBL4127547)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C28H39FN8O5/c1-15-10-19(38)11-16(2)20(15)13-21(30)25(40)36-22(4-3-9-34-28(32)33)27(42)37-23(26(41)35-14-24(31)39)12-17-5-7-18(29)8-6-17/h5-8,10-11,21-23,38H,3-4,9,12-14,30H2,1-2H3,(H2,31,39)(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t21-,22+,23-/m0/s1
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n/an/a 0.801n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274710
PNG
(CHEMBL4127226)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cccc(c1)-c1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C34H44N8O5/c1-20-14-25(43)15-21(2)26(20)18-27(35)31(45)41-28(12-7-13-39-34(37)38)33(47)42-29(32(46)40-19-30(36)44)17-22-8-6-11-24(16-22)23-9-4-3-5-10-23/h3-6,8-11,14-16,27-29,43H,7,12-13,17-19,35H2,1-2H3,(H2,36,44)(H,40,46)(H,41,45)(H,42,47)(H4,37,38,39)/t27-,28+,29-/m0/s1
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n/an/a 0.850n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50274739
PNG
(CHEMBL4127485)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(N)=O)cc1 |r|
Show InChI InChI=1S/C29H42N8O6/c1-16-11-19(38)12-17(2)21(16)14-22(30)26(40)36-23(5-4-10-34-29(32)33)28(42)37-24(27(41)35-15-25(31)39)13-18-6-8-20(43-3)9-7-18/h6-9,11-12,22-24,38H,4-5,10,13-15,30H2,1-3H3,(H2,31,39)(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t22-,23+,24-/m0/s1
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n/an/a 0.901n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274738
PNG
(CHEMBL4128313)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cccc(c1)-c1ccsc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C32H42N8O5S/c1-18-11-23(41)12-19(2)24(18)15-25(33)29(43)39-26(7-4-9-37-32(35)36)31(45)40-27(30(44)38-16-28(34)42)14-20-5-3-6-21(13-20)22-8-10-46-17-22/h3,5-6,8,10-13,17,25-27,41H,4,7,9,14-16,33H2,1-2H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t25-,26+,27-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009146
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Antagonistic potency against thromboxane Thromboxane A2 receptor expressed as inhibition of U 46619-induced platelet aggregation in human platelet ri...


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50274694
PNG
(CHEMBL4129901)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-5-18-8-6-7-9-19(18)12-23(27(37)30-14-24(29)34)32-25(35)17(4)31-26(36)22(28)13-21-15(2)10-20(33)11-16(21)3/h5-11,17,22-23,33H,1,12-14,28H2,2-4H3,(H2,29,34)(H,30,37)(H,31,36)(H,32,35)/t17-,22+,23+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50274689
PNG
(CHEMBL4126050)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C25H32N4O6/c1-14-9-18(30)10-15(2)19(14)12-20(26)24(34)28-16(3)23(33)29-21(25(35)27-13-22(31)32)11-17-7-5-4-6-8-17/h4-10,16,20-21,30H,11-13,26H2,1-3H3,(H,27,35)(H,28,34)(H,29,33)(H,31,32)/t16-,20+,21+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vasa deferens assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50274729
PNG
(CHEMBL4128945)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C29H39F3N8O5/c1-15-10-19(41)11-16(2)20(15)13-21(33)25(43)39-22(4-3-9-37-28(35)36)27(45)40-23(26(44)38-14-24(34)42)12-17-5-7-18(8-6-17)29(30,31)32/h5-8,10-11,21-23,41H,3-4,9,12-14,33H2,1-2H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t21-,22+,23-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Antagonistic potency against thromboxane Thromboxane A2 receptor expressed as inhibition of U 46619-induced platelet aggregation in human platelet ri...


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50274688
PNG
(CHEMBL4129753)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1-c1ccsc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C29H35N5O5S/c1-16-10-21(35)11-17(2)23(16)13-24(30)28(38)33-18(3)27(37)34-25(29(39)32-14-26(31)36)12-19-6-4-5-7-22(19)20-8-9-40-15-20/h4-11,15,18,24-25,35H,12-14,30H2,1-3H3,(H2,31,36)(H,32,39)(H,33,38)(H,34,37)/t18-,24+,25+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50274693
PNG
(CHEMBL4126249)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cccc(C=C)c1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C30H42N8O5/c1-4-19-7-5-8-20(13-19)14-25(28(42)36-16-26(32)40)38-29(43)24(9-6-10-35-30(33)34)37-27(41)23(31)15-22-17(2)11-21(39)12-18(22)3/h4-5,7-8,11-13,23-25,39H,1,6,9-10,14-16,31H2,2-3H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H4,33,34,35)/t23-,24+,25-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50274697
PNG
(CHEMBL4129689)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1-c1ccsc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C32H42N8O5S/c1-18-12-22(41)13-19(2)24(18)15-25(33)29(43)39-26(8-5-10-37-32(35)36)31(45)40-27(30(44)38-16-28(34)42)14-20-6-3-4-7-23(20)21-9-11-46-17-21/h3-4,6-7,9,11-13,17,25-27,41H,5,8,10,14-16,33H2,1-2H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t25-,26+,27-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Antagonistic potency against thromboxane Thromboxane A2 receptor expressed as inhibition of U 46619-induced platelet aggregation in human platelet ri...


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274697
PNG
(CHEMBL4129689)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1-c1ccsc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C32H42N8O5S/c1-18-12-22(41)13-19(2)24(18)15-25(33)29(43)39-26(8-5-10-37-32(35)36)31(45)40-27(30(44)38-16-28(34)42)14-20-6-3-4-7-23(20)21-9-11-46-17-21/h3-4,6-7,9,11-13,17,25-27,41H,5,8,10,14-16,33H2,1-2H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t25-,26+,27-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50274689
PNG
(CHEMBL4126050)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C25H32N4O6/c1-14-9-18(30)10-15(2)19(14)12-20(26)24(34)28-16(3)23(33)29-21(25(35)27-13-22(31)32)11-17-7-5-4-6-8-17/h4-10,16,20-21,30H,11-13,26H2,1-3H3,(H,27,35)(H,28,34)(H,29,33)(H,31,32)/t16-,20+,21+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50274741
PNG
(CHEMBL4126470)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C31H37N5O5/c1-18-13-23(37)14-19(2)25(18)16-26(32)30(40)35-20(3)29(39)36-27(31(41)34-17-28(33)38)15-22-11-7-8-12-24(22)21-9-5-4-6-10-21/h4-14,20,26-27,37H,15-17,32H2,1-3H3,(H2,33,38)(H,34,41)(H,35,40)(H,36,39)/t20-,26+,27+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Compound was tested for competitive blocking of guinea pig ileal smooth muscle strip contraction to cholecystokinin-8 (CCK-8) receptor


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50274695
PNG
(CHEMBL4127702)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C28H39ClN8O5/c1-15-10-19(38)11-16(2)20(15)13-21(30)25(40)36-22(4-3-9-34-28(32)33)27(42)37-23(26(41)35-14-24(31)39)12-17-5-7-18(29)8-6-17/h5-8,10-11,21-23,38H,3-4,9,12-14,30H2,1-2H3,(H2,31,39)(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t21-,22+,23-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vasa deferens assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50274729
PNG
(CHEMBL4128945)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C29H39F3N8O5/c1-15-10-19(41)11-16(2)20(15)13-21(33)25(43)39-22(4-3-9-37-28(35)36)27(45)40-23(26(44)38-14-24(34)42)12-17-5-7-18(8-6-17)29(30,31)32/h5-8,10-11,21-23,41H,3-4,9,12-14,33H2,1-2H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t21-,22+,23-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vasa deferens assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274687
PNG
(CHEMBL4129548)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(C=C)cc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C30H42N8O5/c1-4-19-7-9-20(10-8-19)14-25(28(42)36-16-26(32)40)38-29(43)24(6-5-11-35-30(33)34)37-27(41)23(31)15-22-17(2)12-21(39)13-18(22)3/h4,7-10,12-13,23-25,39H,1,5-6,11,14-16,31H2,2-3H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H4,33,34,35)/t23-,24+,25-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50274688
PNG
(CHEMBL4129753)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1-c1ccsc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C29H35N5O5S/c1-16-10-21(35)11-17(2)23(16)13-24(30)28(38)33-18(3)27(37)34-25(29(39)32-14-26(31)36)12-19-6-4-5-7-22(19)20-8-9-40-15-20/h4-11,15,18,24-25,35H,12-14,30H2,1-3H3,(H2,31,36)(H,32,39)(H,33,38)(H,34,37)/t18-,24+,25+/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vasa deferens assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50274686
PNG
(CHEMBL4129679)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C28H39N7O6/c1-16-11-19(36)12-17(2)20(16)14-21(29)25(39)34-22(9-6-10-32-28(30)31)27(41)35-23(26(40)33-15-24(37)38)13-18-7-4-3-5-8-18/h3-5,7-8,11-12,21-23,36H,6,9-10,13-15,29H2,1-2H3,(H,33,40)(H,34,39)(H,35,41)(H,37,38)(H4,30,31,32)/t21-,22+,23-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50274695
PNG
(CHEMBL4127702)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C28H39ClN8O5/c1-15-10-19(38)11-16(2)20(15)13-21(30)25(40)36-22(4-3-9-34-28(32)33)27(42)37-23(26(41)35-14-24(31)39)12-17-5-7-18(29)8-6-17/h5-8,10-11,21-23,38H,3-4,9,12-14,30H2,1-2H3,(H2,31,39)(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t21-,22+,23-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50274741
PNG
(CHEMBL4126470)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C31H37N5O5/c1-18-13-23(37)14-19(2)25(18)16-26(32)30(40)35-20(3)29(39)36-27(31(41)34-17-28(33)38)15-22-11-7-8-12-24(22)21-9-5-4-6-10-21/h4-14,20,26-27,37H,15-17,32H2,1-3H3,(H2,33,38)(H,34,41)(H,35,40)(H,36,39)/t20-,26+,27+/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Tested for thromboxane antagonist potency (pA2) against U 44619 induced platelet aggregation using human platelet rich plasma


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50274697
PNG
(CHEMBL4129689)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1-c1ccsc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C32H42N8O5S/c1-18-12-22(41)13-19(2)24(18)15-25(33)29(43)39-26(8-5-10-37-32(35)36)31(45)40-27(30(44)38-16-28(34)42)14-20-6-3-4-7-23(20)21-9-11-46-17-21/h3-4,6-7,9,11-13,17,25-27,41H,5,8,10,14-16,33H2,1-2H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t25-,26+,27-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vasa deferens assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50274694
PNG
(CHEMBL4129901)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-5-18-8-6-7-9-19(18)12-23(27(37)30-14-24(29)34)32-25(35)17(4)31-26(36)22(28)13-21-15(2)10-20(33)11-16(21)3/h5-11,17,22-23,33H,1,12-14,28H2,2-4H3,(H2,29,34)(H,30,37)(H,31,36)(H,32,35)/t17-,22+,23+/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vasa deferens assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50274732
PNG
(CHEMBL4127547)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C28H39FN8O5/c1-15-10-19(38)11-16(2)20(15)13-21(30)25(40)36-22(4-3-9-34-28(32)33)27(42)37-23(26(41)35-14-24(31)39)12-17-5-7-18(29)8-6-17/h5-8,10-11,21-23,38H,3-4,9,12-14,30H2,1-2H3,(H2,31,39)(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t21-,22+,23-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vasa deferens assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50274733
PNG
(CHEMBL4127080)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C34H44N8O5/c1-20-15-24(43)16-21(2)26(20)18-27(35)31(45)41-28(13-8-14-39-34(37)38)33(47)42-29(32(46)40-19-30(36)44)17-23-11-6-7-12-25(23)22-9-4-3-5-10-22/h3-7,9-12,15-16,27-29,43H,8,13-14,17-19,35H2,1-2H3,(H2,36,44)(H,40,46)(H,41,45)(H,42,47)(H4,37,38,39)/t27-,28+,29-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274740
PNG
(CHEMBL4128463)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccsc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C32H42N8O5S/c1-18-12-23(41)13-19(2)24(18)15-25(33)29(43)39-26(4-3-10-37-32(35)36)31(45)40-27(30(44)38-16-28(34)42)14-20-5-7-21(8-6-20)22-9-11-46-17-22/h5-9,11-13,17,25-27,41H,3-4,10,14-16,33H2,1-2H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t25-,26+,27-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50274739
PNG
(CHEMBL4127485)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(N)=O)cc1 |r|
Show InChI InChI=1S/C29H42N8O6/c1-16-11-19(38)12-17(2)21(16)14-22(30)26(40)36-23(5-4-10-34-29(32)33)28(42)37-24(27(41)35-15-25(31)39)13-18-6-8-20(43-3)9-7-18/h6-9,11-12,22-24,38H,4-5,10,13-15,30H2,1-3H3,(H2,31,39)(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t22-,23+,24-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vasa deferens assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50274733
PNG
(CHEMBL4127080)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C34H44N8O5/c1-20-15-24(43)16-21(2)26(20)18-27(35)31(45)41-28(13-8-14-39-34(37)38)33(47)42-29(32(46)40-19-30(36)44)17-23-11-6-7-12-25(23)22-9-4-3-5-10-22/h3-7,9-12,15-16,27-29,43H,8,13-14,17-19,35H2,1-2H3,(H2,36,44)(H,40,46)(H,41,45)(H,42,47)(H4,37,38,39)/t27-,28+,29-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vasa deferens assessed as inhibition of electrically induced contractions


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
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