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Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'pintar' and Initial = 'j'   
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)
BDBM50609010
PNG
(CHEMBL5276728)
Show SMILES CC[C@@H]1C[N+]2=C(C[C@@H]1\C(=C/OC)C(=O)OC)c1[nH]c3cccc(OC)c3c1CC2 |r,c:4|
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More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50609010
PNG
(CHEMBL5276728)
Show SMILES CC[C@@H]1C[N+]2=C(C[C@@H]1\C(=C/OC)C(=O)OC)c1[nH]c3cccc(OC)c3c1CC2 |r,c:4|
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Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50519927
PNG
(CHEMBL4546925)
Show SMILES [H][C@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19-/m1/s1
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Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50609010
PNG
(CHEMBL5276728)
Show SMILES CC[C@@H]1C[N+]2=C(C[C@@H]1\C(=C/OC)C(=O)OC)c1[nH]c3cccc(OC)c3c1CC2 |r,c:4|
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Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50474151
PNG
(CHEMBL292521)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(O)c12)C(=C/OC)\C(=O)OC
Show InChI InChI=1S/C22H28N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)25)23-21(14)18(24)10-15(13)16(12-27-2)22(26)28-3/h5-7,12-13,15,18,23,25H,4,8-11H2,1-3H3/b16-12+/t13-,15+,18+/m1/s1
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Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50566316
PNG
(CHEMBL4859858)
Show SMILES [H][C@@]12C[C@@H]([C@@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
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Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50519927
PNG
(CHEMBL4546925)
Show SMILES [H][C@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19-/m1/s1
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Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50566317
PNG
(CHEMBL4848517)
Show SMILES [H][C@@]12C[C@@H]([C@H](CN1CCc1c2[nH]c2cccc(OC)c12)C=C)C(=C/OC)\C(=O)OC |r|
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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50566317
PNG
(CHEMBL4848517)
Show SMILES [H][C@@]12C[C@@H]([C@H](CN1CCc1c2[nH]c2cccc(OC)c12)C=C)C(=C/OC)\C(=O)OC |r|
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More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50519927
PNG
(CHEMBL4546925)
Show SMILES [H][C@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19-/m1/s1
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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50474151
PNG
(CHEMBL292521)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(O)c12)C(=C/OC)\C(=O)OC
Show InChI InChI=1S/C22H28N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)25)23-21(14)18(24)10-15(13)16(12-27-2)22(26)28-3/h5-7,12-13,15,18,23,25H,4,8-11H2,1-3H3/b16-12+/t13-,15+,18+/m1/s1
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Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50609011
PNG
(CHEMBL5287921)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c12)C(=C/OC)\C(=O)OC |r|
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Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50609011
PNG
(CHEMBL5287921)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c12)C(=C/OC)\C(=O)OC |r|
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Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50474151
PNG
(CHEMBL292521)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(O)c12)C(=C/OC)\C(=O)OC
Show InChI InChI=1S/C22H28N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)25)23-21(14)18(24)10-15(13)16(12-27-2)22(26)28-3/h5-7,12-13,15,18,23,25H,4,8-11H2,1-3H3/b16-12+/t13-,15+,18+/m1/s1
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1.88E+3n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50566316
PNG
(CHEMBL4859858)
Show SMILES [H][C@@]12C[C@@H]([C@@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
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Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50609011
PNG
(CHEMBL5287921)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c12)C(=C/OC)\C(=O)OC |r|
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Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50566317
PNG
(CHEMBL4848517)
Show SMILES [H][C@@]12C[C@@H]([C@H](CN1CCc1c2[nH]c2cccc(OC)c12)C=C)C(=C/OC)\C(=O)OC |r|
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Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50609009
PNG
(CHEMBL56717)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)C[N+]1([O-])CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC
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Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50609009
PNG
(CHEMBL56717)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)C[N+]1([O-])CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC
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Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50609009
PNG
(CHEMBL56717)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)C[N+]1([O-])CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC
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Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50566316
PNG
(CHEMBL4859858)
Show SMILES [H][C@@]12C[C@@H]([C@@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
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Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50609010
PNG
(CHEMBL5276728)
Show SMILES CC[C@@H]1C[N+]2=C(C[C@@H]1\C(=C/OC)C(=O)OC)c1[nH]c3cccc(OC)c3c1CC2 |r,c:4|
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n/an/a 1.10E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50566317
PNG
(CHEMBL4848517)
Show SMILES [H][C@@]12C[C@@H]([C@H](CN1CCc1c2[nH]c2cccc(OC)c12)C=C)C(=C/OC)\C(=O)OC |r|
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Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50519927
PNG
(CHEMBL4546925)
Show SMILES [H][C@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19-/m1/s1
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More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50519927
PNG
(CHEMBL4546925)
Show SMILES [H][C@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19-/m1/s1
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Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
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/an/an/a 27n/an/an/an/a


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Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM83396
PNG
(1-(4-acetamidobenzyl)-4-phenethyl-isonipecotic aci...)
Show SMILES CCOC(=O)C1(CCc2ccccc2)CCN(Cc2ccc(NC(C)=O)cc2)CC1
Show InChI InChI=1S/C25H32N2O3/c1-3-30-24(29)25(14-13-21-7-5-4-6-8-21)15-17-27(18-16-25)19-22-9-11-23(12-10-22)26-20(2)28/h4-12H,3,13-19H2,1-2H3,(H,26,28)
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Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
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(N)=O |r|
Show InChI InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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n/an/an/an/a 1.94E+3n/an/an/an/a


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Assay Description
Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50554762
PNG
(CHEMBL4760974)
Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)NC1CCCCCC1
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TBA

Assay Description
Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50554763
PNG
(CHEMBL4758061)
Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)NCc1ccccc1
PDB

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n/an/an/an/a 83n/an/an/an/a


TBA

Assay Description
Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50554764
PNG
(CHEMBL4761310)
Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)NCCc1cccc(F)c1
PDB

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n/an/an/an/a 110n/an/an/an/a


TBA

Assay Description
Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50554765
PNG
(CHEMBL4781906)
Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)Nc1ccc(OC)cc1
PDB

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n/an/an/an/a 205n/an/an/an/a


TBA

Assay Description
Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50554766
PNG
(CHEMBL4795492)
Show SMILES CCC(=O)N(Cc1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)NCCc1cccc(F)c1
PDB

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n/an/an/an/a 0.400n/an/an/an/a


TBA

Assay Description
Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50554767
PNG
(CHEMBL4776176)
Show SMILES CCC(=O)N(CCc1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)NCCc1cccc(F)c1
PDB

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n/an/an/an/a 144n/an/an/an/a


TBA

Assay Description
Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50554768
PNG
(CHEMBL4783765)
Show SMILES Fc1cccc(CCNC(=O)C2(CCN(CCc3ccccc3)CC2)N(C(=O)c2ccccc2)c2ccccc2)c1
PDB

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n/an/an/an/a 85n/an/an/an/a


TBA

Assay Description
Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50554769
PNG
(CHEMBL4788377)
Show SMILES CCC(=O)N(Cc1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)Nc1ccc(OC)cc1
PDB

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n/an/an/an/a 32n/an/an/an/a


TBA

Assay Description
Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50554770
PNG
(CHEMBL4783653)
Show SMILES CCC(=O)N(Cc1ccco1)C1(CCN(CCc2ccccc2)CC1)C(=O)NCCc1cccc(F)c1
PDB

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n/an/an/an/a 163n/an/an/an/a


TBA

Assay Description
Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50554771
PNG
(CHEMBL4784041)
Show SMILES CCC(=O)N(Cc1ccncc1)C1(CCN(CCc2ccccc2)CC1)C(=O)NCCc1cccc(F)c1
PDB

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n/an/an/an/a 70n/an/an/an/a


TBA

Assay Description
Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50554772
PNG
(CHEMBL4793926)
Show SMILES CCC(=O)N(Cc1cccnc1)C1(CCN(CCc2ccccc2)CC1)C(=O)NCCc1cccc(F)c1
PDB

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n/an/an/an/a 264n/an/an/an/a


TBA

Assay Description
Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50554773
PNG
(CHEMBL4779684)
Show SMILES CCC(=O)N(Cc1ccc(C)cc1)C1(CCN(CCc2ccccc2)CC1)C(=O)NCCc1cccc(F)c1
PDB

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n/an/an/an/a 191n/an/an/an/a


TBA

Assay Description
Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50554774
PNG
(CHEMBL4755700)
Show SMILES CCC(=O)N(Cc1cccc(Cl)c1)C1(CCN(CCc2ccccc2)CC1)C(=O)NCCc1cccc(F)c1
PDB

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n/an/an/an/a 380n/an/an/an/a


TBA

Assay Description
Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50554775
PNG
(CHEMBL4784650)
Show SMILES CCC(=O)N(Cc1cccs1)C1(CCN(CCc2ccccc2)CC1)C(=O)NCCc1cccc(F)c1
PDB

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n/an/an/an/a 129n/an/an/an/a


TBA

Assay Description
Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50554776
PNG
(CHEMBL4751847)
Show SMILES CCC(=O)N(Cc1ccco1)C1(CCN(CCc2ccccc2)CC1)C(=O)Nc1ccc(OC)cc1
PDB

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n/an/an/an/a 16n/an/an/an/a


TBA

Assay Description
Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50554777
PNG
(CHEMBL4751491)
Show SMILES CCC(=O)N(Cc1cccs1)C1(CCN(CCc2ccccc2)CC1)C(=O)Nc1ccc(OC)cc1
PDB

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n/an/an/an/a 4.33E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50554778
PNG
(CHEMBL4740220)
Show SMILES CCC(=O)N(Cc1ccncc1)C1(CCN(CCc2ccccc2)CC1)C(=O)Nc1ccc(OC)cc1
PDB

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n/an/an/an/a 1.58E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS bind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Delta-type/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/an/an/a 2.70n/an/an/an/a


TBA

Assay Description
Agonist activity at MOR/DOR in wild-type C57BL6 mouse spinal cord membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 60 mins...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Delta-type/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/an/an/a 2.70n/an/an/an/a


TBA

Assay Description
Agonist activity at MOR/DOR in wild-type C57BL6 mouse spinal cord membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 60 mins...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Delta-type/Mu-type opioid receptor


(MOUSE)
BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
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(N)=O |r|
Show InChI InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a


TBA

Assay Description
Agonist activity at MOR/DOR in wild-type C57BL6 mouse spinal cord membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 60 mins...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Delta-type/Mu-type opioid receptor


(MOUSE)
BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
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(N)=O |r|
Show InChI InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a


TBA

Assay Description
Agonist activity at MOR/DOR in wild-type C57BL6 mouse spinal cord membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 60 mins...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Delta-type/Mu-type opioid receptor


(MOUSE)
BDBM50554766
PNG
(CHEMBL4795492)
Show SMILES CCC(=O)N(Cc1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)NCCc1cccc(F)c1
PDB

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n/an/an/an/a 0.0320n/an/an/an/a


TBA

Assay Description
Agonist activity at MOR/DOR in wild-type C57BL6 mouse spinal cord membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 60 mins...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
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