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Compile Data Set for Download or QSAR

Found 4378 hits Enz. Inhib. hit(s) with Target = 'Opioid receptor'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50450653
PNG
(CHEMBL2115493)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCCC[C@@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C33H45N5O8/c1-20(2)16-26(31(44)45)37-30(43)25(18-21-8-4-3-5-9-21)36-28(41)19-35-32(46)33(15-7-6-10-27(33)40)38-29(42)24(34)17-22-11-13-23(39)14-12-22/h3-5,8-9,11-14,20,24-27,39-40H,6-7,10,15-19,34H2,1-2H3,(H,35,46)(H,36,41)(H,37,43)(H,38,42)(H,44,45)/t24-,25-,26-,27+,33-/m1/s1
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n/an/a 0.00500n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against forskolin-stimulated cAMP production in chinese hamster ovary cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 8: 2027-32 (1999)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50450653
PNG
(CHEMBL2115493)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCCC[C@@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C33H45N5O8/c1-20(2)16-26(31(44)45)37-30(43)25(18-21-8-4-3-5-9-21)36-28(41)19-35-32(46)33(15-7-6-10-27(33)40)38-29(42)24(34)17-22-11-13-23(39)14-12-22/h3-5,8-9,11-14,20,24-27,39-40H,6-7,10,15-19,34H2,1-2H3,(H,35,46)(H,36,41)(H,37,43)(H,38,42)(H,44,45)/t24-,25-,26-,27+,33-/m1/s1
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n/an/a 0.0100n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat Opioid receptor delta 1 expressed in CHO cells determined by competitive inhibition of 1 nM [3H]DPDPE.


Bioorg Med Chem Lett 8: 2027-32 (1999)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50450656
PNG
(CHEMBL2114469)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCC[C@@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C32H43N5O8/c1-19(2)15-25(30(43)44)36-29(42)24(17-20-7-4-3-5-8-20)35-27(40)18-34-31(45)32(14-6-9-26(32)39)37-28(41)23(33)16-21-10-12-22(38)13-11-21/h3-5,7-8,10-13,19,23-26,38-39H,6,9,14-18,33H2,1-2H3,(H,34,45)(H,35,40)(H,36,42)(H,37,41)(H,43,44)/t23-,24-,25-,26+,32-/m1/s1
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n/an/a 0.0100n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against forskolin-stimulated cAMP production in chinese hamster ovary cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 8: 2027-32 (1999)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50450656
PNG
(CHEMBL2114469)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCC[C@@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C32H43N5O8/c1-19(2)15-25(30(43)44)36-29(42)24(17-20-7-4-3-5-8-20)35-27(40)18-34-31(45)32(14-6-9-26(32)39)37-28(41)23(33)16-21-10-12-22(38)13-11-21/h3-5,7-8,10-13,19,23-26,38-39H,6,9,14-18,33H2,1-2H3,(H,34,45)(H,35,40)(H,36,42)(H,37,41)(H,43,44)/t23-,24-,25-,26+,32-/m1/s1
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n/an/a 0.0400n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat Opioid receptor delta 1 expressed in CHO cells determined by competitive inhibition of 1 nM [3H]DPDPE.


Bioorg Med Chem Lett 8: 2027-32 (1999)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50035145
PNG
(1'-(3-cyclohexyloxypropyl)-3H-spiro[2-benzofuran-1...)
Show SMILES C(COC1CCCCC1)CN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C21H31NO2/c1-2-8-19(9-3-1)23-16-6-13-22-14-11-21(12-15-22)20-10-5-4-7-18(20)17-24-21/h4-5,7,10,19H,1-3,6,8-9,11-17H2
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n/an/a 0.0700n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50035141
PNG
(1'-(cyclohexylbutyl)-3H-spiro[2-benzofuran-1,4'-pi...)
Show SMILES C(CCN1CCC2(CC1)OCc1ccccc21)CC1CCCCC1
Show InChI InChI=1S/C22H33NO/c1-2-8-19(9-3-1)10-6-7-15-23-16-13-22(14-17-23)21-12-5-4-11-20(21)18-24-22/h4-5,11-12,19H,1-3,6-10,13-18H2
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n/an/a 0.0700n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50071201
PNG
((R)-2-[(R)-2-(2-{(R)-2-[(R)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@](C)(CO)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C30H41N5O8/c1-18(2)13-24(28(41)42)34-27(40)23(15-19-7-5-4-6-8-19)33-25(38)16-32-29(43)30(3,17-36)35-26(39)22(31)14-20-9-11-21(37)12-10-20/h4-12,18,22-24,36-37H,13-17,31H2,1-3H3,(H,32,43)(H,33,38)(H,34,40)(H,35,39)(H,41,42)/t22-,23-,24-,30-/m1/s1
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n/an/a 0.0710n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against forskolin-stimulated cAMP production in chinese hamster ovary cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 8: 2027-32 (1999)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50054124
PNG
(1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCN3CCCC(C)(C)C3)CCCc12
Show InChI InChI=1S/C21H33NO/c1-21(2)13-7-15-22(16-21)14-6-9-17-8-4-11-19-18(17)10-5-12-20(19)23-3/h5,10,12,17H,4,6-9,11,13-16H2,1-3H3
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n/an/a 0.0890n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards sigma 1 receptor by displacing the radioligand [3H]-SKF- 10047 in whole rat brain membrane.


J Med Chem 41: 3940-7 (1998)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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n/an/a 0.120n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50035133
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)SCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2S/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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n/an/a 0.140n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50035144
PNG
(1'-(2-phenylhexyl)-3H-spiro[2-benzofuran-1,4'-pipe...)
Show SMILES C(CCCc1ccccc1)CCN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C24H31NO/c1(4-10-21-11-5-3-6-12-21)2-9-17-25-18-15-24(16-19-25)23-14-8-7-13-22(23)20-26-24/h3,5-8,11-14H,1-2,4,9-10,15-20H2
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n/an/a 0.200n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50061291
PNG
((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H47BrN6O8S2/c1-38(2)31(45-33(49)27(41)18-23-12-16-26(47)17-13-23)35(51)42-21-30(48)43-28(19-24-10-14-25(40)15-11-24)34(50)46-32(39(3,4)56-55-38)36(52)44-29(37(53)54)20-22-8-6-5-7-9-22/h5-17,27-29,31-32,47H,18-21,41H2,1-4H3,(H,42,51)(H,43,48)(H,44,52)(H,45,49)(H,46,50)(H,53,54)/t27-,28-,29-,31-,32+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding of radioligand [3H][p-Cl-phe]-DPDPE to Opioid receptor delta 1 in rat brain


J Med Chem 40: 3957-62 (1998)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50035122
PNG
(1'-(2-phenylpentyl)-3H-spiro[2-benzofuran-1,4'-pip...)
Show SMILES C(CCN1CCC2(CC1)OCc1ccccc21)CCc1ccccc1
Show InChI InChI=1S/C23H29NO/c1-3-9-20(10-4-1)11-5-2-8-16-24-17-14-23(15-18-24)22-13-7-6-12-21(22)19-25-23/h1,3-4,6-7,9-10,12-13H,2,5,8,11,14-19H2
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n/an/a 0.200n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50035129
PNG
(1'-(2-phenylbutyl)-3H-spiro[2-benzofuran-1,4'-pipe...)
Show SMILES C(CCc1ccccc1)CN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C22H27NO/c1-2-8-19(9-3-1)10-6-7-15-23-16-13-22(14-17-23)21-12-5-4-11-20(21)18-24-22/h1-5,8-9,11-12H,6-7,10,13-18H2
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n/an/a 0.25n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50035097
PNG
(1''-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-...)
Show SMILES C(N1CCC2(CCCc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C21H25N/c1-2-7-18(8-3-1)17-22-15-13-21(14-16-22)12-6-10-19-9-4-5-11-20(19)21/h1-5,7-9,11H,6,10,12-17H2
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n/an/a 0.260n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Sigma receptor type 1 using radioligand ([3H]-(+)- Pentazocine) binding assay.


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50035097
PNG
(1''-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-...)
Show SMILES C(N1CCC2(CCCc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C21H25N/c1-2-7-18(8-3-1)17-22-15-13-21(14-16-22)12-6-10-19-9-4-5-11-20(19)21/h1-5,7-9,11H,6,10,12-17H2
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n/an/a 0.260n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor binding site 1 using [3H](+)-pentazocine


J Med Chem 38: 1998-2008 (1995)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50035134
PNG
(1'-(3-(cyclohexylthio)propyl)-3H-spiro[2-benzofura...)
Show SMILES C(CSC1CCCCC1)CN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C21H31NOS/c1-2-8-19(9-3-1)24-16-6-13-22-14-11-21(12-15-22)20-10-5-4-7-18(20)17-23-21/h4-5,7,10,19H,1-3,6,8-9,11-17H2
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n/an/a 0.260n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50035129
PNG
(1'-(2-phenylbutyl)-3H-spiro[2-benzofuran-1,4'-pipe...)
Show SMILES C(CCc1ccccc1)CN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C22H27NO/c1-2-8-19(9-3-1)10-6-7-15-23-16-13-22(14-17-23)21-12-5-4-11-20(21)18-24-22/h1-5,8-9,11-12H,6-7,10,13-18H2
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n/an/a 0.270n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Sigma receptor type 1 using radioligand ([3H]-(+)- Pentazocine) binding assay.


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50039026
PNG
(4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1
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n/an/a 0.310n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity was measured against Opioid receptor delta 1 using [3H]-p-Cl-DPDPE as radioligand.


J Med Chem 41: 4767-76 (1998)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50035142
PNG
(1-[1-(4-fluorophenyl)-1H-3-indolyl]-4-[6-fluorospi...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccc(F)cc32)c2ccccc12
Show InChI InChI=1S/C30H30F2N2O/c31-24-10-12-26(13-11-24)34-20-22(27-6-1-2-7-29(27)34)5-3-4-16-33-17-14-30(15-18-33)28-19-25(32)9-8-23(28)21-35-30/h1-2,6-13,19-20H,3-5,14-18,21H2
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n/an/a 0.310n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50035135
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)COCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C31H33FN2O/c32-26-12-14-27(15-13-26)34-21-24(28-9-2-4-11-30(28)34)7-5-6-18-33-19-16-31(17-20-33)23-35-22-25-8-1-3-10-29(25)31/h1-4,8-15,21H,5-7,16-20,22-23H2
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n/an/a 0.340n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50037079
PNG
(CHEMBL3355781)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1C[C@H]2CC[C@@H](CC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C42H53N7O7/c1-24-17-30(50)18-25(2)31(24)22-32(43)39(53)47-34-21-28-13-15-29(16-14-28)45-37(51)23-33(38(44)52)46-40(54)35(19-26-9-5-3-6-10-26)48-42(56)36(49-41(34)55)20-27-11-7-4-8-12-27/h3-12,17-18,28-29,32-36,50H,13-16,19-23,43H2,1-2H3,(H2,44,52)(H,45,51)(H,46,54)(H,47,53)(H,48,56)(H,49,55)/t28-,29-,32-,33-,34+,35-,36-/s2
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n/an/a 0.380n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin-2 from DOR in Wistar rat brain membranes by liquid scintillation counting method


Bioorg Med Chem 22: 6545-51 (2015)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50035145
PNG
(1'-(3-cyclohexyloxypropyl)-3H-spiro[2-benzofuran-1...)
Show SMILES C(COC1CCCCC1)CN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C21H31NO2/c1-2-8-19(9-3-1)23-16-6-13-22-14-11-21(12-15-22)20-10-5-4-7-18(20)17-24-21/h4-5,7,10,19H,1-3,6,8-9,11-17H2
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n/an/a 0.400n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Sigma receptor type 1 using radioligand ([3H]-(+)- Pentazocine) binding assay.


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50061292
PNG
((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H47ClN6O8S2/c1-38(2)31(45-33(49)27(41)18-23-12-16-26(47)17-13-23)35(51)42-21-30(48)43-28(19-24-10-14-25(40)15-11-24)34(50)46-32(39(3,4)56-55-38)36(52)44-29(37(53)54)20-22-8-6-5-7-9-22/h5-17,27-29,31-32,47H,18-21,41H2,1-4H3,(H,42,51)(H,43,48)(H,44,52)(H,45,49)(H,46,50)(H,53,54)/t27-,28-,29-,31-,32+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding of radioligand [3H][p-Cl-phe]-DPDPE to Opioid receptor delta 1 in rat brain


J Med Chem 40: 3957-62 (1998)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50071201
PNG
((R)-2-[(R)-2-(2-{(R)-2-[(R)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@](C)(CO)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C30H41N5O8/c1-18(2)13-24(28(41)42)34-27(40)23(15-19-7-5-4-6-8-19)33-25(38)16-32-29(43)30(3,17-36)35-26(39)22(31)14-20-9-11-21(37)12-10-20/h4-12,18,22-24,36-37H,13-17,31H2,1-3H3,(H,32,43)(H,33,38)(H,34,40)(H,35,39)(H,41,42)/t22-,23-,24-,30-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat Opioid receptor delta 1 expressed in CHO cells determined by competitive inhibition of 1 nM [3H]DPDPE.


Bioorg Med Chem Lett 8: 2027-32 (1999)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50061295
PNG
((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H47FN6O8S2/c1-38(2)31(45-33(49)27(41)18-23-12-16-26(47)17-13-23)35(51)42-21-30(48)43-28(19-24-10-14-25(40)15-11-24)34(50)46-32(39(3,4)56-55-38)36(52)44-29(37(53)54)20-22-8-6-5-7-9-22/h5-17,27-29,31-32,47H,18-21,41H2,1-4H3,(H,42,51)(H,43,48)(H,44,52)(H,45,49)(H,46,50)(H,53,54)/t27-,28-,29-,31-,32+/m0/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding of radioligand [3H][p-Cl-phe]-DPDPE to Opioid receptor delta 1 in rat brain


J Med Chem 40: 3957-62 (1998)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009180
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor


J Med Chem 37: 141-5 (1994)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50061293
PNG
((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H47IN6O8S2/c1-38(2)31(45-33(49)27(41)18-23-12-16-26(47)17-13-23)35(51)42-21-30(48)43-28(19-24-10-14-25(40)15-11-24)34(50)46-32(39(3,4)56-55-38)36(52)44-29(37(53)54)20-22-8-6-5-7-9-22/h5-17,27-29,31-32,47H,18-21,41H2,1-4H3,(H,42,51)(H,43,48)(H,44,52)(H,45,49)(H,46,50)(H,53,54)/t27-,28-,29-,31-,32+/m0/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding of radioligand [3H][p-Cl-phe]-DPDPE to Opioid receptor delta 1 in rat brain


J Med Chem 40: 3957-62 (1998)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50043720
PNG
((S)-2-{[(4R,7S)-13-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H43ClN6O8S2/c1-37(2)31(44-32(47)26(39)16-22-10-14-25(45)15-11-22)35(50)40-19-30(46)41-27(17-23-8-12-24(38)13-9-23)33(48)43-29(20-53-54-37)34(49)42-28(36(51)52)18-21-6-4-3-5-7-21/h3-15,26-29,31,45H,16-20,39H2,1-2H3,(H,40,50)(H,41,46)(H,42,49)(H,43,48)(H,44,47)(H,51,52)/t26-,27-,28-,29-,31-/m0/s1
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n/an/a 0.510n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor was determined in rat brain using [H]-[p-Cl-Phe4]-DPDPE as radioligand


J Med Chem 37: 146-50 (1994)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50035144
PNG
(1'-(2-phenylhexyl)-3H-spiro[2-benzofuran-1,4'-pipe...)
Show SMILES C(CCCc1ccccc1)CCN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C24H31NO/c1(4-10-21-11-5-3-6-12-21)2-9-17-25-18-15-24(16-19-25)23-14-8-7-13-22(23)20-26-24/h3,5-8,11-14H,1-2,4,9-10,15-20H2
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n/an/a 0.530n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Sigma receptor type 1 using radioligand ([3H]-(+)- Pentazocine) binding assay.


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001468
PNG
((S)-3-((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](CC(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
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/a 0.540n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity for Opioid receptor delta 1


J Med Chem 40: 3100-8 (1997)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001468
PNG
((S)-3-((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](CC(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
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/a 0.560n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 1350-3 (2008)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50035128
PNG
(1'-(2-phenylpropyl)-3H-spiro[2-benzofuran-1,4'-pip...)
Show SMILES C(CN1CCC2(CC1)OCc1ccccc21)Cc1ccccc1
Show InChI InChI=1S/C21H25NO/c1-2-7-18(8-3-1)9-6-14-22-15-12-21(13-16-22)20-11-5-4-10-19(20)17-23-21/h1-5,7-8,10-11H,6,9,12-17H2
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n/an/a 0.560n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Sigma receptor type 1 using radioligand ([3H]-(+)- Pentazocine) binding assay.


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50035124
PNG
(1-[1-(4-fluorophenyl)-1H-3-indolyl]-4-[7-fluorospi...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2cccc(F)c32)c2ccccc12
Show InChI InChI=1S/C30H30F2N2O/c31-24-11-13-25(14-12-24)34-20-22(26-8-1-2-10-28(26)34)6-3-4-17-33-18-15-30(16-19-33)29-23(21-35-30)7-5-9-27(29)32/h1-2,5,7-14,20H,3-4,6,15-19,21H2
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n/an/a 0.580n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001468
PNG
((S)-3-((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](CC(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
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor


J Med Chem 37: 141-5 (1994)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50007329
PNG
((R)-2-[(R)-2-(2-{2-[(R)-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-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat Opioid receptor delta 1 expressed in CHO cells determined by competitive inhibition of 1 nM [3H]DPDPE.


Bioorg Med Chem Lett 8: 2027-32 (1999)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001468
PNG
((S)-3-((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](CC(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
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor


J Med Chem 37: 141-5 (1994)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50289537
PNG
(1-(3-Phenyl-propyl)-3-((Z)-styryl)-piperidine | CH...)
Show SMILES C(CN1CCCC(C1)\C=C/c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C22H27N/c1-3-9-20(10-4-1)13-7-17-23-18-8-14-22(19-23)16-15-21-11-5-2-6-12-21/h1-6,9-12,15-16,22H,7-8,13-14,17-19H2/b16-15-
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001468
PNG
((S)-3-((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](CC(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
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against delta receptor with [3H]-[p-Cl-Phe4]-DPDPE


Bioorg Med Chem Lett 2: 547-552 (1992)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50067018
PNG
(1-[5-(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1ccc2C(CCCCCN3CCCC(C)(C)C3)CCCc2c1
Show InChI InChI=1S/C23H37NO/c1-23(2)14-8-16-24(18-23)15-6-4-5-9-19-10-7-11-20-17-21(25-3)12-13-22(19)20/h12-13,17,19H,4-11,14-16,18H2,1-3H3
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n/an/a 0.620n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards sigma 1 receptor by displacing the radioligand [3H]-SKF- 10047 in whole rat brain membrane.


J Med Chem 41: 3940-7 (1998)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 0.630n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat Opioid receptor delta 1 expressed in CHO cells determined by competitive inhibition of 1 nM [3H]DPDPE.


Bioorg Med Chem Lett 8: 2027-32 (1999)

More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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n/an/a 0.630n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat kappa-opioid receptor expressed in CHO cells was determined by competitive inhibition of 2 nM [3H]-U 69593


Bioorg Med Chem Lett 8: 2027-32 (1999)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 0.650n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Sigma receptor type 1 using radioligand ([3H]-(+)- Pentazocine) binding assay.


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 0.650n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor binding site 1 using [3H](+)-pentazocine


J Med Chem 38: 1998-2008 (1995)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50054121
PNG
(3,3-Dimethyl-1-[4-(1,2,3,4-tetrahydro-naphthalen-1...)
Show SMILES CC1(C)CCCN(CCCCC2CCCc3ccccc23)C1
Show InChI InChI=1S/C21H33N/c1-21(2)14-8-16-22(17-21)15-6-5-10-19-12-7-11-18-9-3-4-13-20(18)19/h3-4,9,13,19H,5-8,10-12,14-17H2,1-2H3
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n/an/a 0.690n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards sigma 1 receptor by displacing the radioligand [3H]-SKF- 10047 in whole rat brain membrane.


J Med Chem 41: 3940-7 (1998)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50043725
PNG
((S)-2-{[(4R,7S)-13-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H43FN6O8S2/c1-37(2)31(44-32(47)26(39)16-22-10-14-25(45)15-11-22)35(50)40-19-30(46)41-27(17-23-8-12-24(38)13-9-23)33(48)43-29(20-53-54-37)34(49)42-28(36(51)52)18-21-6-4-3-5-7-21/h3-15,26-29,31,45H,16-20,39H2,1-2H3,(H,40,50)(H,41,46)(H,42,49)(H,43,48)(H,44,47)(H,51,52)/t26-,27-,28-,29-,31-/m0/s1
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n/an/a 0.710n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor was determined in rat brain using [H]-[p-Cl-Phe4]-DPDPE as radioligand


J Med Chem 37: 146-50 (1994)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50289553
PNG
(1-Phenethyl-3-((Z)-styryl)-piperidine | CHEMBL3697...)
Show SMILES C(Cc1ccccc1)N1CCCC(C1)\C=C/c1ccccc1
Show InChI InChI=1S/C21H25N/c1-3-8-19(9-4-1)13-14-21-12-7-16-22(18-21)17-15-20-10-5-2-6-11-20/h1-6,8-11,13-14,21H,7,12,15-18H2/b14-13-
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at sigma receptor by [3H]-(+)-SKF-10,047 displacement.


Bioorg Med Chem Lett 7: 1525-1530 (1997)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50035122
PNG
(1'-(2-phenylpentyl)-3H-spiro[2-benzofuran-1,4'-pip...)
Show SMILES C(CCN1CCC2(CC1)OCc1ccccc21)CCc1ccccc1
Show InChI InChI=1S/C23H29NO/c1-3-9-20(10-4-1)11-5-2-8-16-24-17-14-23(15-18-24)22-13-7-6-12-21(22)19-25-23/h1,3-4,6-7,9-10,12-13H,2,5,8,11,14-19H2
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n/an/a 0.820n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Sigma receptor type 1 using radioligand ([3H]-(+)- Pentazocine) binding assay.


J Med Chem 38: 2009-17 (1995)

More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50054124
PNG
(1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCN3CCCC(C)(C)C3)CCCc12
Show InChI InChI=1S/C21H33NO/c1-21(2)13-7-15-22(16-21)14-6-9-17-8-4-11-19-18(17)10-5-12-20(19)23-3/h5,10,12,17H,4,6-9,11,13-16H2,1-3H3
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n/an/a 0.850n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards sigma 1 receptor by displacing the radioligand [3H]-SKF- 10047 in whole rat brain membrane.


J Med Chem 41: 3940-7 (1998)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50280456
PNG
(CHEMBL153466 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(O)=O)C(=O)N1)C(=O)NCC(N)=O
Show InChI InChI=1S/C35H46N8O10S2/c1-18(2)29(35(53)38-15-27(37)45)43-34(52)26-17-55-54-16-25(41-30(48)22(36)12-20-8-10-21(44)11-9-20)33(51)39-23(13-19-6-4-3-5-7-19)31(49)40-24(14-28(46)47)32(50)42-26/h3-11,18,22-26,29,44H,12-17,36H2,1-2H3,(H2,37,45)(H,38,53)(H,39,51)(H,40,49)(H,41,48)(H,42,50)(H,43,52)(H,46,47)/t22-,23-,24+,25-,26+,29-/m0/s1
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n/an/a 0.870n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against delta receptor with [3H]-[p-Cl-Phe4]-DPDPE


Bioorg Med Chem Lett 2: 547-552 (1992)

More data for this
Ligand-Target Pair
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