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Compile Data Set for Download or QSAR

Found 602 hits with Last Name = 'nefzi' and Initial = 'a'   
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
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50369460
PNG
(CHEMBL1788109)
Show SMILES C[C@@H](SC(C)=O)C(=O)N1[C@@H](C[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C17H19NO6S/c1-9(25-10(2)19)15(20)18-13(17(23)24)8-12(16(21)22)14(18)11-6-4-3-5-7-11/h3-7,9,12-14H,8H2,1-2H3,(H,21,22)(H,23,24)/t9-,12+,13+,14+/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Enzyme inhibitory activity towards Angiotensin I converting enzyme


J Med Chem 42: 3743-78 (1999)


BindingDB Entry DOI: 10.7270/Q22Z167W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50120216
PNG
(2-Amino-N-[({[1-benzyl-2-(5-isobutyl-4-oxo-imidazo...)
Show SMILES CC(C)C[C@@H]1N(CNC1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C29H38N6O6/c1-18(2)12-24-28(40)33-17-35(24)29(41)23(14-19-6-4-3-5-7-19)34-26(38)16-31-25(37)15-32-27(39)22(30)13-20-8-10-21(36)11-9-20/h3-11,18,22-24,36H,12-17,30H2,1-2H3,(H,31,37)(H,32,39)(H,33,40)(H,34,38)/t22-,23-,24-/m0/s1
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4n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 was determined using ([d-Ala2,MePhe4, Gly5-ol]-enkephalin (DAMGO) as the radioligand.


Bioorg Med Chem Lett 12: 3175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2862FSM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50094772
PNG
(CHEMBL3589796)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@H](CN=C3C=C2N1CCc1ccccc1)C(C)C |r,c:21,24|
Show InChI InChI=1S/C25H22N4O3/c1-32-20-10-6-5-9-18(20)24(30)28-23-25(31)29-12-11-16-13-17(26)14-19(22(16)29)21(27-23)15-7-3-2-4-8-15/h2-10,13-14,23H,11-12,26H2,1H3,(H,28,30)/t23-/m0/s1
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23n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices and cerebella by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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24n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 was determined using ([d-Ala2,MePhe4, Gly5-ol]-enkephalin (DAMGO) as the radioligand.


Bioorg Med Chem Lett 12: 3175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2862FSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50120219
PNG
((S)-2-{[(S)-2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CNC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C30H42N6O6/c1-19(2)14-25(29(41)32-3)36(4)30(42)24(16-20-8-6-5-7-9-20)35-27(39)18-33-26(38)17-34-28(40)23(31)15-21-10-12-22(37)13-11-21/h5-13,19,23-25,37H,14-18,31H2,1-4H3,(H,32,41)(H,33,38)(H,34,40)(H,35,39)/t23-,24-,25-/m0/s1
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28n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 was determined using ([d-Ala2,MePhe4, Gly5-ol]-enkephalin (DAMGO) as the radioligand.


Bioorg Med Chem Lett 12: 3175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2862FSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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31n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 was determined using [d-Ser2, Leu5, Thr6] enkephalin (DSLET) as the radioligand.


Bioorg Med Chem Lett 12: 3175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2862FSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094772
PNG
(CHEMBL3589796)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@H](CN=C3C=C2N1CCc1ccccc1)C(C)C |r,c:21,24|
Show InChI InChI=1S/C25H22N4O3/c1-32-20-10-6-5-9-18(20)24(30)28-23-25(31)29-12-11-16-13-17(26)14-19(22(16)29)21(27-23)15-7-3-2-4-8-15/h2-10,13-14,23H,11-12,26H2,1H3,(H,28,30)/t23-/m0/s1
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32n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094764
PNG
(CHEMBL3589705)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@@H](Cc4ccccc4)CN=C3C=C2N1CCc1ccccc1 |r,c:29,32|
Show InChI InChI=1S/C23H19N5O2/c24-17-12-16-8-11-28-20(16)18(13-17)19(14-4-2-1-3-5-14)26-21(23(28)30)27-22(29)15-6-9-25-10-7-15/h1-7,9-10,12-13,21H,8,11,24H2,(H,27,29)/t21-/m0/s1
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37n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50120217
PNG
((S)-2-{[(S)-2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C29H40N6O6/c1-18(2)13-24(27(31)39)35(3)29(41)23(15-19-7-5-4-6-8-19)34-26(38)17-32-25(37)16-33-28(40)22(30)14-20-9-11-21(36)12-10-20/h4-12,18,22-24,36H,13-17,30H2,1-3H3,(H2,31,39)(H,32,37)(H,33,40)(H,34,38)/t22-,23-,24-/m0/s1
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46n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 was determined using ([d-Ala2,MePhe4, Gly5-ol]-enkephalin (DAMGO) as the radioligand.


Bioorg Med Chem Lett 12: 3175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2862FSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094774
PNG
(CHEMBL3589798)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:31,34|
Show InChI InChI=1S/C28H28N6O4/c1-28(2,3)38-27(37)31-21-15-30-11-9-19(21)25(35)33-24-26(36)34-12-10-17-13-18(29)14-20(23(17)34)22(32-24)16-7-5-4-6-8-16/h4-9,11,13-15,24H,10,12,29H2,1-3H3,(H,31,37)(H,33,35)/t24-/m0/s1
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50n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094763
PNG
(CHEMBL3589704)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@@H](Cc4ccccc4)CN=C3C=C2N1 |r,c:29,32|
Show InChI InChI=1S/C28H25Cl2N5O2/c29-21-13-18(14-22(30)23(21)31)27(36)33-26-28(37)35-11-8-17-12-19(34-9-4-5-10-34)15-20(25(17)35)24(32-26)16-6-2-1-3-7-16/h1-3,6-7,12-15,26H,4-5,8-11,31H2,(H,33,36)/t26-/m0/s1
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57n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50101997
PNG
(CHEMBL3326769)
Show SMILES CC(C)C[C@@H](CN)NC[C@H](Cc1ccccc1)N(C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N(C)C |r|
Show InChI InChI=1S/C32H53N5O/c1-25(2)18-28(21-33)34-22-30(19-26-10-7-6-8-11-26)36(5)23-29-12-9-17-37(29)24-31(35(3)4)20-27-13-15-32(38)16-14-27/h6-8,10-11,13-16,25,28-31,34,38H,9,12,17-24,33H2,1-5H3/t28-,29-,30-,31-/m0/s1
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60n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50071508
PNG
((2S,3S)-2-[(R)-4-(4-Amino-butyl)-3-benzyl-2,5-diox...)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCc1ccccc1)n1c(O)c(CCCCN)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C27H36N4O3/c1-3-20(2)24(25(32)29-18-21-12-6-4-7-13-21)31-26(33)23(16-10-11-17-28)30(27(31)34)19-22-14-8-5-9-15-22/h4-9,12-15,20,24,33H,3,10-11,16-19,28H2,1-2H3,(H,29,32)/t20-,24-/m0/s1
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62n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor


Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50071501
PNG
((R)-2-[(R)-4-(4-Amino-butyl)-3-benzyl-2,5-dioxo-im...)
Show SMILES CCC[C@H](C(=O)NCc1ccccc1)n1c(O)c(CCCCN)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C26H34N4O3/c1-2-11-22(24(31)28-18-20-12-5-3-6-13-20)30-25(32)23(16-9-10-17-27)29(26(30)33)19-21-14-7-4-8-15-21/h3-8,12-15,22,32H,2,9-11,16-19,27H2,1H3,(H,28,31)/t22-/m1/s1
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64n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor


Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50120217
PNG
((S)-2-{[(S)-2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C29H40N6O6/c1-18(2)13-24(27(31)39)35(3)29(41)23(15-19-7-5-4-6-8-19)34-26(38)17-32-25(37)16-33-28(40)22(30)14-20-9-11-21(36)12-10-20/h4-12,18,22-24,36H,13-17,30H2,1-3H3,(H2,31,39)(H,32,37)(H,33,40)(H,34,38)/t22-,23-,24-/m0/s1
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67n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 was determined using [d-Ser2, Leu5, Thr6] enkephalin (DSLET) as the radioligand.


Bioorg Med Chem Lett 12: 3175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2862FSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094773
PNG
(CHEMBL3589797)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2)cc1 |r,c:31,34|
Show InChI InChI=1S/C24H20N4O3/c1-31-18-13-17-9-12-28-21(17)19(14-18)20(15-5-3-2-4-6-15)26-22(24(28)30)27-23(29)16-7-10-25-11-8-16/h2-8,10-11,13-14,22H,9,12H2,1H3,(H,27,29)/t22-/m0/s1
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69n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50071501
PNG
((R)-2-[(R)-4-(4-Amino-butyl)-3-benzyl-2,5-dioxo-im...)
Show SMILES CCC[C@H](C(=O)NCc1ccccc1)n1c(O)c(CCCCN)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C26H34N4O3/c1-2-11-22(24(31)28-18-20-12-5-3-6-13-20)30-25(32)23(16-9-10-17-27)29(26(30)33)19-21-14-7-4-8-15-21/h3-8,12-15,22,32H,2,9-11,16-19,27H2,1H3,(H,28,31)/t22-/m1/s1
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80n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor


Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50120220
PNG
(2-[1-{3-[2-amino-3-(4-hydroxyphenyl)-(2S)-propanoy...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CN(CC1=O)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C29H38N6O6/c1-18(2)12-23(27(31)39)33-28(40)24(14-19-6-4-3-5-7-19)32-25(37)15-34-17-35(16-26(34)38)29(41)22(30)13-20-8-10-21(36)11-9-20/h3-11,18,22-24,36H,12-17,30H2,1-2H3,(H2,31,39)(H,32,37)(H,33,40)/t22-,23-,24-/m0/s1
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92n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 was determined using ([d-Ala2,MePhe4, Gly5-ol]-enkephalin (DAMGO) as the radioligand.


Bioorg Med Chem Lett 12: 3175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2862FSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50120213
PNG
((S)-2-[(S)-2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C29H40N6O6/c1-18(2)13-23(28(40)31-3)35-29(41)24(15-19-7-5-4-6-8-19)34-26(38)17-32-25(37)16-33-27(39)22(30)14-20-9-11-21(36)12-10-20/h4-12,18,22-24,36H,13-17,30H2,1-3H3,(H,31,40)(H,32,37)(H,33,39)(H,34,38)(H,35,41)/t22-,23-,24-/m0/s1
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95n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 was determined using [d-Ser2, Leu5, Thr6] enkephalin (DSLET) as the radioligand.


Bioorg Med Chem Lett 12: 3175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2862FSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50120216
PNG
(2-Amino-N-[({[1-benzyl-2-(5-isobutyl-4-oxo-imidazo...)
Show SMILES CC(C)C[C@@H]1N(CNC1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C29H38N6O6/c1-18(2)12-24-28(40)33-17-35(24)29(41)23(14-19-6-4-3-5-7-19)34-26(38)16-31-25(37)15-32-27(39)22(30)13-20-8-10-21(36)11-9-20/h3-11,18,22-24,36H,12-17,30H2,1-2H3,(H,31,37)(H,32,39)(H,33,40)(H,34,38)/t22-,23-,24-/m0/s1
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109n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 was determined using [d-Ser2, Leu5, Thr6] enkephalin (DSLET) as the radioligand.


Bioorg Med Chem Lett 12: 3175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2862FSM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50071506
PNG
((2R,3R)-2-[(R)-4-(4-Amino-butyl)-3-benzyl-2,5-diox...)
Show SMILES CC[C@@H](C)[C@H](C(=O)NCc1ccccc1)n1c(O)c(CCCCN)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C27H36N4O3/c1-3-20(2)24(25(32)29-18-21-12-6-4-7-13-21)31-26(33)23(16-10-11-17-28)30(27(31)34)19-22-14-8-5-9-15-22/h4-9,12-15,20,24,33H,3,10-11,16-19,28H2,1-2H3,(H,29,32)/t20-,24-/m1/s1
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125n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor


Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50120218
PNG
((1S,3S)-2-[2-(3-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N1CN(CC1=O)C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C29H38N6O6/c1-18(2)12-23(27(31)39)33-29(41)24(14-19-6-4-3-5-7-19)35-17-34(16-26(35)38)25(37)15-32-28(40)22(30)13-20-8-10-21(36)11-9-20/h3-11,18,22-24,36H,12-17,30H2,1-2H3,(H2,31,39)(H,32,40)(H,33,41)/t22-,23-,24-/m0/s1
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141n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 was determined using [d-Ser2, Leu5, Thr6] enkephalin (DSLET) as the radioligand.


Bioorg Med Chem Lett 12: 3175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2862FSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50120213
PNG
((S)-2-[(S)-2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C29H40N6O6/c1-18(2)13-23(28(40)31-3)35-29(41)24(15-19-7-5-4-6-8-19)34-26(38)17-32-25(37)16-33-27(39)22(30)14-20-9-11-21(36)12-10-20/h4-12,18,22-24,36H,13-17,30H2,1-3H3,(H,31,40)(H,32,37)(H,33,39)(H,34,38)(H,35,41)/t22-,23-,24-/m0/s1
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145n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 was determined using ([d-Ala2,MePhe4, Gly5-ol]-enkephalin (DAMGO) as the radioligand.


Bioorg Med Chem Lett 12: 3175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2862FSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094766
PNG
(CHEMBL3589707)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:31,34|
Show InChI InChI=1S/C23H16Cl2N4O2/c24-16-11-26-12-17(25)18(16)22(30)28-21-23(31)29-10-9-14-7-4-8-15(20(14)29)19(27-21)13-5-2-1-3-6-13/h1-8,11-12,21H,9-10H2,(H,28,30)/t21-/m0/s1
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188n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50071504
PNG
((R)-2-[(R)-4-(4-Amino-butyl)-3-benzyl-2,5-dioxo-im...)
Show SMILES NCCCCc1c(O)n([C@H](CC2CCCCC2)C(N)=O)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C23H34N4O3/c24-14-8-7-13-19-22(29)27(20(21(25)28)15-17-9-3-1-4-10-17)23(30)26(19)16-18-11-5-2-6-12-18/h2,5-6,11-12,17,20,29H,1,3-4,7-10,13-16,24H2,(H2,25,28)/t20-/m1/s1
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189n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor


Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50120219
PNG
((S)-2-{[(S)-2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CNC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C30H42N6O6/c1-19(2)14-25(29(41)32-3)36(4)30(42)24(16-20-8-6-5-7-9-20)35-27(39)18-33-26(38)17-34-28(40)23(31)15-21-10-12-22(37)13-11-21/h5-13,19,23-25,37H,14-18,31H2,1-4H3,(H,32,41)(H,33,38)(H,34,40)(H,35,39)/t23-,24-,25-/m0/s1
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209n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 was determined using [d-Ser2, Leu5, Thr6] enkephalin (DSLET) as the radioligand.


Bioorg Med Chem Lett 12: 3175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2862FSM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50094771
PNG
(CHEMBL3589795)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@H](CN=C3C=C2N1)C(C)C |r,c:21,24|
Show InChI InChI=1S/C27H21N5O2/c28-20-12-18-10-11-32-24(18)21(14-20)23(16-6-2-1-3-7-16)30-25(27(32)34)31-26(33)22-13-17-8-4-5-9-19(17)15-29-22/h1-9,12-15,25H,10-11,28H2,(H,31,33)/t25-/m0/s1
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209n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices and cerebella by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094771
PNG
(CHEMBL3589795)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@H](CN=C3C=C2N1)C(C)C |r,c:21,24|
Show InChI InChI=1S/C27H21N5O2/c28-20-12-18-10-11-32-24(18)21(14-20)23(16-6-2-1-3-7-16)30-25(27(32)34)31-26(33)22-13-17-8-4-5-9-19(17)15-29-22/h1-9,12-15,25H,10-11,28H2,(H,31,33)/t25-/m0/s1
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215n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50120220
PNG
(2-[1-{3-[2-amino-3-(4-hydroxyphenyl)-(2S)-propanoy...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CN(CC1=O)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C29H38N6O6/c1-18(2)12-23(27(31)39)33-28(40)24(14-19-6-4-3-5-7-19)32-25(37)15-34-17-35(16-26(34)38)29(41)22(30)13-20-8-10-21(36)11-9-20/h3-11,18,22-24,36H,12-17,30H2,1-2H3,(H2,31,39)(H,32,37)(H,33,40)/t22-,23-,24-/m0/s1
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229n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 was determined using [d-Ser2, Leu5, Thr6] enkephalin (DSLET) as the radioligand.


Bioorg Med Chem Lett 12: 3175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2862FSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50120218
PNG
((1S,3S)-2-[2-(3-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N1CN(CC1=O)C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C29H38N6O6/c1-18(2)12-23(27(31)39)33-29(41)24(14-19-6-4-3-5-7-19)35-17-34(16-26(35)38)25(37)15-32-28(40)22(30)13-20-8-10-21(36)11-9-20/h3-11,18,22-24,36H,12-17,30H2,1-2H3,(H2,31,39)(H,32,40)(H,33,41)/t22-,23-,24-/m0/s1
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236n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 was determined using ([d-Ala2,MePhe4, Gly5-ol]-enkephalin (DAMGO) as the radioligand.


Bioorg Med Chem Lett 12: 3175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2862FSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094776
PNG
(CHEMBL3589800)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:32,35|
Show InChI InChI=1S/C23H18N4O2/c28-22(17-9-12-24-13-10-17)26-21-23(29)27-14-11-16-7-4-8-18(20(16)27)19(25-21)15-5-2-1-3-6-15/h1-10,12-13,21H,11,14H2,(H,26,28)/t21-/m0/s1
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246n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50101998
PNG
(CHEMBL3326768)
Show SMILES CC(C)C[C@H]1CNC(=O)C(=O)N1C[C@H](Cc1ccccc1)N(C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N(C)C |r|
Show InChI InChI=1S/C34H51N5O3/c1-25(2)18-29-21-35-33(41)34(42)39(29)24-31(20-26-10-7-6-8-11-26)37(5)22-28-12-9-17-38(28)23-30(36(3)4)19-27-13-15-32(40)16-14-27/h6-8,10-11,13-16,25,28-31,40H,9,12,17-24H2,1-5H3,(H,35,41)/t28-,29-,30-,31-/m0/s1
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250n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50071510
PNG
((S)-2-[(R)-4-(4-Amino-butyl)-3-benzyl-2,5-dioxo-im...)
Show SMILES NCCCCc1c(O)n([C@@H](CC2CCCCC2)C(N)=O)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C23H34N4O3/c24-14-8-7-13-19-22(29)27(20(21(25)28)15-17-9-3-1-4-10-17)23(30)26(19)16-18-11-5-2-6-12-18/h2,5-6,11-12,17,20,29H,1,3-4,7-10,13-16,24H2,(H2,25,28)/t20-/m0/s1
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254n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor


Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094775
PNG
(CHEMBL3589799)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2)cc1 |r,c:32,35|
Show InChI InChI=1S/C24H18Cl2N4O2/c1-13-9-15-7-8-30-21(15)16(10-13)20(14-5-3-2-4-6-14)28-22(24(30)32)29-23(31)19-17(25)11-27-12-18(19)26/h2-6,9-12,22H,7-8H2,1H3,(H,29,31)/t22-/m0/s1
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316n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50071502
PNG
((2R,3S)-2-[(R)-4-(3-Amino-propyl)-3-benzyl-2,5-dio...)
Show SMILES CC[C@H](C)[C@H](C(=O)NCc1ccccc1)n1c(O)c(CCCN)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C26H34N4O3/c1-3-19(2)23(24(31)28-17-20-11-6-4-7-12-20)30-25(32)22(15-10-16-27)29(26(30)33)18-21-13-8-5-9-14-21/h4-9,11-14,19,23,32H,3,10,15-18,27H2,1-2H3,(H,28,31)/t19-,23+/m0/s1
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333n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor


Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094765
PNG
(CHEMBL3589706)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2)cc1 |r,c:31,34|
Show InChI InChI=1S/C23H19N5O2/c24-18-13-25-11-9-16(18)22(29)27-21-23(30)28-12-10-15-7-4-8-17(20(15)28)19(26-21)14-5-2-1-3-6-14/h1-9,11,13,21H,10,12,24H2,(H,27,29)/t21-/m0/s1
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338n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094776
PNG
(CHEMBL3589800)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:32,35|
Show InChI InChI=1S/C23H18N4O2/c28-22(17-9-12-24-13-10-17)26-21-23(29)27-14-11-16-7-4-8-18(20(16)27)19(25-21)15-5-2-1-3-6-15/h1-10,12-13,21H,11,14H2,(H,26,28)/t21-/m0/s1
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392n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094774
PNG
(CHEMBL3589798)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:31,34|
Show InChI InChI=1S/C28H28N6O4/c1-28(2,3)38-27(37)31-21-15-30-11-9-19(21)25(35)33-24-26(36)34-12-10-17-13-18(29)14-20(23(17)34)22(32-24)16-7-5-4-6-8-16/h4-9,11,13-15,24H,10,12,29H2,1-3H3,(H,31,37)(H,33,35)/t24-/m0/s1
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393n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50071511
PNG
((R)-2-[(S)-4-(3-Amino-propyl)-3-benzyl-2,5-dioxo-i...)
Show SMILES NCCCc1c(O)n([C@H](CC2CCCCC2)C(N)=O)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C22H32N4O3/c23-13-7-12-18-21(28)26(19(20(24)27)14-16-8-3-1-4-9-16)22(29)25(18)15-17-10-5-2-6-11-17/h2,5-6,10-11,16,19,28H,1,3-4,7-9,12-15,23H2,(H2,24,27)/t19-/m1/s1
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406n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor


Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50102027
PNG
(CHEMBL3326767)
Show SMILES CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N(C)C |r|
Show InChI InChI=1S/C33H51N5OS/c1-25(2)18-29-21-34-33(40)38(29)24-31(20-26-10-7-6-8-11-26)36(5)22-28-12-9-17-37(28)23-30(35(3)4)19-27-13-15-32(39)16-14-27/h6-8,10-11,13-16,25,28-31,39H,9,12,17-24H2,1-5H3,(H,34,40)/t28-,29-,30-,31-/m0/s1
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430n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50071509
PNG
((R)-2-[(R)-4-(3-Amino-propyl)-3-benzyl-2,5-dioxo-i...)
Show SMILES CCC[C@H](C(=O)NCc1ccccc1)n1c(O)c(CCCN)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C25H32N4O3/c1-2-10-21(23(30)27-17-19-11-5-3-6-12-19)29-24(31)22(15-9-16-26)28(25(29)32)18-20-13-7-4-8-14-20/h3-8,11-14,21,31H,2,9-10,15-18,26H2,1H3,(H,27,30)/t21-/m1/s1
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435n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor


Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50120215
PNG
((S)-2-[(S)-2-(2-{2-[4-((S)-4-Hydroxy-benzyl)-5-oxo...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN1CN[C@@H](Cc2ccc(O)cc2)C1=O)C(N)=O
Show InChI InChI=1S/C29H38N6O6/c1-18(2)12-22(27(30)39)34-28(40)23(13-19-6-4-3-5-7-19)33-25(37)15-31-26(38)16-35-17-32-24(29(35)41)14-20-8-10-21(36)11-9-20/h3-11,18,22-24,32,36H,12-17H2,1-2H3,(H2,30,39)(H,31,38)(H,33,37)(H,34,40)/t22-,23-,24-/m0/s1
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547n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 was determined using ([d-Ala2,MePhe4, Gly5-ol]-enkephalin (DAMGO) as the radioligand.


Bioorg Med Chem Lett 12: 3175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2862FSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094775
PNG
(CHEMBL3589799)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2)cc1 |r,c:32,35|
Show InChI InChI=1S/C24H18Cl2N4O2/c1-13-9-15-7-8-30-21(15)16(10-13)20(14-5-3-2-4-6-14)28-22(24(30)32)29-23(31)19-17(25)11-27-12-18(19)26/h2-6,9-12,22H,7-8H2,1H3,(H,29,31)/t22-/m0/s1
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552n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094761
PNG
(CHEMBL3589702)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2)cc1 |r,c:30,33|
Show InChI InChI=1S/C30H32N4O/c35-28-13-11-24(12-14-28)15-25-20-33-27(17-23-9-5-2-6-10-23)21-34-26(16-22-7-3-1-4-8-22)19-31-29(34)18-30(33)32-25/h1-14,18,25-27,32,35H,15-17,19-21H2/t25-,26-,27-/m0/s1
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566n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094773
PNG
(CHEMBL3589797)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2)cc1 |r,c:31,34|
Show InChI InChI=1S/C24H20N4O3/c1-31-18-13-17-9-12-28-21(17)19(14-18)20(15-5-3-2-4-6-15)26-22(24(28)30)27-23(29)16-7-10-25-11-8-16/h2-8,10-11,13-14,22H,9,12H2,1H3,(H,27,29)/t22-/m0/s1
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605n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50094764
PNG
(CHEMBL3589705)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@@H](Cc4ccccc4)CN=C3C=C2N1CCc1ccccc1 |r,c:29,32|
Show InChI InChI=1S/C23H19N5O2/c24-17-12-16-8-11-28-20(16)18(13-17)19(14-4-2-1-3-5-14)26-21(23(28)30)27-22(29)15-6-9-25-10-7-15/h1-7,9-10,12-13,21H,8,11,24H2,(H,27,29)/t21-/m0/s1
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642n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices and cerebella by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094772
PNG
(CHEMBL3589796)
Show SMILES CC(C)C[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN3[C@H](CN=C3C=C2N1CCc1ccccc1)C(C)C |r,c:21,24|
Show InChI InChI=1S/C25H22N4O3/c1-32-20-10-6-5-9-18(20)24(30)28-23-25(31)29-12-11-16-13-17(26)14-19(22(16)29)21(27-23)15-7-3-2-4-8-15/h2-10,13-14,23H,11-12,26H2,1H3,(H,28,30)/t23-/m0/s1
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721n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50102073
PNG
(CHEMBL3326662)
Show SMILES CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)CCN1CCN(C[C@H](Cc2ccc(O)cc2)N(C)C)C1=S |r|
Show InChI InChI=1S/C33H50N6OS2/c1-25(2)19-28-22-34-32(41)39(28)24-30(21-26-9-7-6-8-10-26)36(5)15-16-37-17-18-38(33(37)42)23-29(35(3)4)20-27-11-13-31(40)14-12-27/h6-14,25,28-30,40H,15-24H2,1-5H3,(H,34,41)/t28-,29-,30-/m0/s1
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740n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50094774
PNG
(CHEMBL3589798)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN4[C@@H](Cc5ccc(O)cc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:31,34|
Show InChI InChI=1S/C28H28N6O4/c1-28(2,3)38-27(37)31-21-15-30-11-9-19(21)25(35)33-24-26(36)34-12-10-17-13-18(29)14-20(23(17)34)22(32-24)16-7-5-4-6-8-16/h4-9,11,13-15,24H,10,12,29H2,1-3H3,(H,31,37)(H,33,35)/t24-/m0/s1
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767n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices and cerebella by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50094766
PNG
(CHEMBL3589707)
Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2CCc2ccccc2)cc1 |r,c:31,34|
Show InChI InChI=1S/C23H16Cl2N4O2/c24-16-11-26-12-17(25)18(16)22(30)28-21-23(31)29-10-9-14-7-4-8-15(20(14)29)19(27-21)13-5-2-1-3-6-13/h1-8,11-12,21H,9-10H2,(H,28,30)/t21-/m0/s1
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878n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay


J Med Chem 58: 4905-17 (2015)


Article DOI: 10.1021/jm501637c
BindingDB Entry DOI: 10.7270/Q2TB18NQ
More data for this
Ligand-Target Pair
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