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PubMed code 6150112

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
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
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027087
PNG
(2-Bromo-N-[1-(2-diethylamino-ethyl)-2-(4-ethoxy-be...)
Show SMILES CCOc1ccc(Cc2nc3cc(NC(=O)CBr)ccc3n2CCN(CC)CC)cc1
Show InChI InChI=1S/C24H31BrN4O2/c1-4-28(5-2)13-14-29-22-12-9-19(26-24(30)17-25)16-21(22)27-23(29)15-18-7-10-20(11-8-18)31-6-3/h7-12,16H,4-6,13-15,17H2,1-3H3,(H,26,30)
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n/an/an/an/a 200n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to neuroblastoma X glioma hybrid cell NG108-15 (Opioid receptor delta 1)membranes

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027087
PNG
(2-Bromo-N-[1-(2-diethylamino-ethyl)-2-(4-ethoxy-be...)
Show SMILES CCOc1ccc(Cc2nc3cc(NC(=O)CBr)ccc3n2CCN(CC)CC)cc1
Show InChI InChI=1S/C24H31BrN4O2/c1-4-28(5-2)13-14-29-22-12-9-19(26-24(30)17-25)16-21(22)27-23(29)15-18-7-10-20(11-8-18)31-6-3/h7-12,16H,4-6,13-15,17H2,1-3H3,(H,26,30)
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n/an/an/an/a 40n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (mu opiate receptors).

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027085
PNG
(CHEMBL38832 | {2-[2-(4-Ethoxy-benzyl)-5-isothiocya...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C=S)cc1
Show InChI InChI=1S/C23H28N4OS/c1-4-26(5-2)13-14-27-22-12-9-19(24-17-29)16-21(22)25-23(27)15-18-7-10-20(11-8-18)28-6-3/h7-12,16H,4-6,13-15H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (Opioid receptor delta 1)

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027086
PNG
(3-[1-(2-Diethylamino-ethyl)-2-(4-ethoxy-benzyl)-1H...)
Show SMILES CCOc1ccc(Cc2nc3cc(NC(=O)\C=C\C(=O)OC)ccc3n2CCN(CC)CC)cc1
Show InChI InChI=1S/C27H34N4O4/c1-5-30(6-2)16-17-31-24-13-10-21(28-26(32)14-15-27(33)34-4)19-23(24)29-25(31)18-20-8-11-22(12-9-20)35-7-3/h8-15,19H,5-7,16-18H2,1-4H3,(H,28,32)/b15-14+
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TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (Opioid receptor delta 1)

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027087
PNG
(2-Bromo-N-[1-(2-diethylamino-ethyl)-2-(4-ethoxy-be...)
Show SMILES CCOc1ccc(Cc2nc3cc(NC(=O)CBr)ccc3n2CCN(CC)CC)cc1
Show InChI InChI=1S/C24H31BrN4O2/c1-4-28(5-2)13-14-29-22-12-9-19(26-24(30)17-25)16-21(22)27-23(29)15-18-7-10-20(11-8-18)31-6-3/h7-12,16H,4-6,13-15,17H2,1-3H3,(H,26,30)
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n/an/an/an/a 1.50E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (Opioid receptor delta 1)

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50240354
PNG
(CHEMBL274844 | N-{1-[2-(4-Isothiocyanato-phenyl)-e...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccc(cc2)N=C=S)CC1)c1ccccc1
Show InChI InChI=1S/C23H27N3OS/c1-2-23(27)26(21-6-4-3-5-7-21)22-13-16-25(17-14-22)15-12-19-8-10-20(11-9-19)24-18-28/h3-11,22H,2,12-17H2,1H3
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TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (Opioid receptor delta 1)

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027088
PNG
(CHEMBL291099 | N-(1-{2-[4-(2-Bromo-acetylamino)-ph...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccc(NC(=O)CBr)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C24H30BrN3O2/c1-2-24(30)28(21-6-4-3-5-7-21)22-13-16-27(17-14-22)15-12-19-8-10-20(11-9-19)26-23(29)18-25/h3-11,22H,2,12-18H2,1H3,(H,26,29)
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TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (mu opiate receptors).

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027089
PNG
(methyl 3-(11-hydroxy-15-methoxy-3-methyl-13-oxa-3-...)
Show SMILES COC(=O)\C=C\C(=O)N[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |wD:17.18,11.11,9.8,14.15,c:12,TLB:19:20:11:24.27.26,12:11:20.21.22:24.27.26,25:24:11:20.21.22,(25.56,-19.2,;25.95,-17.71,;24.85,-16.61,;25.24,-15.13,;23.37,-17.03,;22.98,-18.54,;21.48,-18.96,;21.09,-20.46,;20.36,-17.87,;18.81,-17.87,;18.06,-16.6,;16.52,-16.57,;17.86,-17.35,;16.71,-18.44,;18.06,-19.22,;18.83,-20.51,;18.81,-22.06,;16.49,-19.19,;14.87,-20.06,;13.45,-19.12,;14.22,-17.81,;13.48,-16.51,;14.28,-15.18,;15.8,-15.21,;15.77,-13.66,;17.12,-12.87,;14.84,-15.74,;15.55,-16.47,;15.74,-17.84,;11.95,-16.47,;11.16,-17.73,;11.9,-19.09,;11.09,-20.39,)|
Show InChI InChI=1S/C25H28N2O6/c1-27-11-10-24-20-14-4-5-15(28)21(20)33-22(24)25(32-3)9-8-23(24,17(27)12-14)13-16(25)26-18(29)6-7-19(30)31-2/h4-9,16-17,22,28H,10-13H2,1-3H3,(H,26,29)/b7-6+/t16-,17?,22+,23+,24?,25+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (mu opiate receptors).

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027090
PNG
(1N-(11-hydroxy-15-methoxy-3-methyl-13-oxa-3-azahex...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1NC(=O)CBr)C1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |wD:22.22,5.4,7.8,2.1,c:3,TLB:20:28:5:26.24.25,27:26:5:28.15.14,THB:4:5:28.15.14:26.24.25,(18.84,-22.1,;18.86,-20.54,;18.08,-19.25,;16.74,-18.47,;17.89,-17.37,;16.54,-16.6,;18.08,-16.63,;18.84,-17.9,;20.39,-17.9,;21.51,-18.99,;21.12,-20.49,;23.01,-18.57,;24.11,-19.65,;15.82,-15.24,;14.3,-15.2,;13.5,-16.53,;11.97,-16.5,;11.17,-17.76,;11.92,-19.12,;11.11,-20.42,;13.47,-19.15,;14.89,-20.09,;16.51,-19.22,;15.77,-17.87,;15.57,-16.5,;14.86,-15.77,;15.8,-13.68,;17.15,-12.89,;14.25,-17.84,)|
Show InChI InChI=1S/C22H25BrN2O4/c1-25-8-7-21-17-12-3-4-13(26)18(17)29-19(21)22(28-2)6-5-20(21,15(25)9-12)10-14(22)24-16(27)11-23/h3-6,14-15,19,26H,7-11H2,1-2H3,(H,24,27)/t14-,15?,19+,20+,21?,22+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (Opioid receptor delta 1)

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027090
PNG
(1N-(11-hydroxy-15-methoxy-3-methyl-13-oxa-3-azahex...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1NC(=O)CBr)C1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |wD:22.22,5.4,7.8,2.1,c:3,TLB:20:28:5:26.24.25,27:26:5:28.15.14,THB:4:5:28.15.14:26.24.25,(18.84,-22.1,;18.86,-20.54,;18.08,-19.25,;16.74,-18.47,;17.89,-17.37,;16.54,-16.6,;18.08,-16.63,;18.84,-17.9,;20.39,-17.9,;21.51,-18.99,;21.12,-20.49,;23.01,-18.57,;24.11,-19.65,;15.82,-15.24,;14.3,-15.2,;13.5,-16.53,;11.97,-16.5,;11.17,-17.76,;11.92,-19.12,;11.11,-20.42,;13.47,-19.15,;14.89,-20.09,;16.51,-19.22,;15.77,-17.87,;15.57,-16.5,;14.86,-15.77,;15.8,-13.68,;17.15,-12.89,;14.25,-17.84,)|
Show InChI InChI=1S/C22H25BrN2O4/c1-25-8-7-21-17-12-3-4-13(26)18(17)29-19(21)22(28-2)6-5-20(21,15(25)9-12)10-14(22)24-16(27)11-23/h3-6,14-15,19,26H,7-11H2,1-2H3,(H,24,27)/t14-,15?,19+,20+,21?,22+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to neuroblastoma X glioma hybrid cell NG108-15 (Opioid receptor delta 1)membranes

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027086
PNG
(3-[1-(2-Diethylamino-ethyl)-2-(4-ethoxy-benzyl)-1H...)
Show SMILES CCOc1ccc(Cc2nc3cc(NC(=O)\C=C\C(=O)OC)ccc3n2CCN(CC)CC)cc1
Show InChI InChI=1S/C27H34N4O4/c1-5-30(6-2)16-17-31-24-13-10-21(28-26(32)14-15-27(33)34-4)19-23(24)29-25(31)18-20-8-11-22(12-9-20)35-7-3/h8-15,19H,5-7,16-18H2,1-4H3,(H,28,32)/b15-14+
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n/an/an/an/a 10n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (mu opiate receptors).

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027085
PNG
(CHEMBL38832 | {2-[2-(4-Ethoxy-benzyl)-5-isothiocya...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C=S)cc1
Show InChI InChI=1S/C23H28N4OS/c1-4-26(5-2)13-14-27-22-12-9-19(24-17-29)16-21(22)25-23(27)15-18-7-10-20(11-8-18)28-6-3/h7-12,16H,4-6,13-15H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (Opioid receptor delta 1)

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50240354
PNG
(CHEMBL274844 | N-{1-[2-(4-Isothiocyanato-phenyl)-e...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccc(cc2)N=C=S)CC1)c1ccccc1
Show InChI InChI=1S/C23H27N3OS/c1-2-23(27)26(21-6-4-3-5-7-21)22-13-16-25(17-14-22)15-12-19-8-10-20(11-9-19)24-18-28/h3-11,22H,2,12-17H2,1H3
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TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to neuroblastoma X glioma hybrid cell NG108-15 (Opioid receptor delta 1)membranes

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027091
PNG
(19-isothiocyanato-15-methoxy-3-methyl-13-oxa-3-aza...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1N=C=S)C1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |wD:20.20,5.4,7.8,2.1,c:3,TLB:18:26:5:24.22.23,25:24:5:26.13.12,THB:4:5:26.13.12:24.22.23,(20.42,-20.53,;18.87,-20.55,;18.09,-19.26,;16.74,-18.48,;17.9,-17.38,;16.55,-16.6,;18.09,-16.63,;18.85,-17.91,;20.4,-17.91,;21.95,-17.9,;23.51,-17.87,;15.82,-15.24,;14.3,-15.21,;13.51,-16.54,;11.97,-16.5,;11.18,-17.77,;11.92,-19.13,;11.11,-20.43,;13.47,-19.16,;14.9,-20.1,;16.52,-19.22,;15.77,-17.87,;15.58,-16.5,;14.86,-15.77,;15.8,-13.69,;17.15,-12.89,;14.25,-17.84,)|
Show InChI InChI=1S/C21H22N2O3S/c1-23-8-7-20-16-12-3-4-13(24)17(16)26-18(20)21(25-2)6-5-19(20,15(23)9-12)10-14(21)22-11-27/h3-6,14-15,18,24H,7-10H2,1-2H3/t14-,15?,18+,19+,20?,21+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to neuroblastoma X glioma hybrid cell NG108-15 (Opioid receptor delta 1)membranes

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027089
PNG
(methyl 3-(11-hydroxy-15-methoxy-3-methyl-13-oxa-3-...)
Show SMILES COC(=O)\C=C\C(=O)N[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |wD:17.18,11.11,9.8,14.15,c:12,TLB:19:20:11:24.27.26,12:11:20.21.22:24.27.26,25:24:11:20.21.22,(25.56,-19.2,;25.95,-17.71,;24.85,-16.61,;25.24,-15.13,;23.37,-17.03,;22.98,-18.54,;21.48,-18.96,;21.09,-20.46,;20.36,-17.87,;18.81,-17.87,;18.06,-16.6,;16.52,-16.57,;17.86,-17.35,;16.71,-18.44,;18.06,-19.22,;18.83,-20.51,;18.81,-22.06,;16.49,-19.19,;14.87,-20.06,;13.45,-19.12,;14.22,-17.81,;13.48,-16.51,;14.28,-15.18,;15.8,-15.21,;15.77,-13.66,;17.12,-12.87,;14.84,-15.74,;15.55,-16.47,;15.74,-17.84,;11.95,-16.47,;11.16,-17.73,;11.9,-19.09,;11.09,-20.39,)|
Show InChI InChI=1S/C25H28N2O6/c1-27-11-10-24-20-14-4-5-15(28)21(20)33-22(24)25(32-3)9-8-23(24,17(27)12-14)13-16(25)26-18(29)6-7-19(30)31-2/h4-9,16-17,22,28H,10-13H2,1-3H3,(H,26,29)/b7-6+/t16-,17?,22+,23+,24?,25+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (Opioid receptor delta 1)

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027091
PNG
(19-isothiocyanato-15-methoxy-3-methyl-13-oxa-3-aza...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1N=C=S)C1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |wD:20.20,5.4,7.8,2.1,c:3,TLB:18:26:5:24.22.23,25:24:5:26.13.12,THB:4:5:26.13.12:24.22.23,(20.42,-20.53,;18.87,-20.55,;18.09,-19.26,;16.74,-18.48,;17.9,-17.38,;16.55,-16.6,;18.09,-16.63,;18.85,-17.91,;20.4,-17.91,;21.95,-17.9,;23.51,-17.87,;15.82,-15.24,;14.3,-15.21,;13.51,-16.54,;11.97,-16.5,;11.18,-17.77,;11.92,-19.13,;11.11,-20.43,;13.47,-19.16,;14.9,-20.1,;16.52,-19.22,;15.77,-17.87,;15.58,-16.5,;14.86,-15.77,;15.8,-13.69,;17.15,-12.89,;14.25,-17.84,)|
Show InChI InChI=1S/C21H22N2O3S/c1-23-8-7-20-16-12-3-4-13(24)17(16)26-18(20)21(25-2)6-5-19(20,15(23)9-12)10-14(21)22-11-27/h3-6,14-15,18,24H,7-10H2,1-2H3/t14-,15?,18+,19+,20?,21+/m0/s1
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n/an/an/an/a 50n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (mu opiate receptors).

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027091
PNG
(19-isothiocyanato-15-methoxy-3-methyl-13-oxa-3-aza...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1N=C=S)C1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |wD:20.20,5.4,7.8,2.1,c:3,TLB:18:26:5:24.22.23,25:24:5:26.13.12,THB:4:5:26.13.12:24.22.23,(20.42,-20.53,;18.87,-20.55,;18.09,-19.26,;16.74,-18.48,;17.9,-17.38,;16.55,-16.6,;18.09,-16.63,;18.85,-17.91,;20.4,-17.91,;21.95,-17.9,;23.51,-17.87,;15.82,-15.24,;14.3,-15.21,;13.51,-16.54,;11.97,-16.5,;11.18,-17.77,;11.92,-19.13,;11.11,-20.43,;13.47,-19.16,;14.9,-20.1,;16.52,-19.22,;15.77,-17.87,;15.58,-16.5,;14.86,-15.77,;15.8,-13.69,;17.15,-12.89,;14.25,-17.84,)|
Show InChI InChI=1S/C21H22N2O3S/c1-23-8-7-20-16-12-3-4-13(24)17(16)26-18(20)21(25-2)6-5-19(20,15(23)9-12)10-14(21)22-11-27/h3-6,14-15,18,24H,7-10H2,1-2H3/t14-,15?,18+,19+,20?,21+/m0/s1
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n/an/an/an/a 50n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (Opioid receptor delta 1)

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50240354
PNG
(CHEMBL274844 | N-{1-[2-(4-Isothiocyanato-phenyl)-e...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccc(cc2)N=C=S)CC1)c1ccccc1
Show InChI InChI=1S/C23H27N3OS/c1-2-23(27)26(21-6-4-3-5-7-21)22-13-16-25(17-14-22)15-12-19-8-10-20(11-9-19)24-18-28/h3-11,22H,2,12-17H2,1H3
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n/an/an/an/a 300n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (mu opiate receptors).

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027088
PNG
(CHEMBL291099 | N-(1-{2-[4-(2-Bromo-acetylamino)-ph...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccc(NC(=O)CBr)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C24H30BrN3O2/c1-2-24(30)28(21-6-4-3-5-7-21)22-13-16-27(17-14-22)15-12-19-8-10-20(11-9-19)26-23(29)18-25/h3-11,22H,2,12-18H2,1H3,(H,26,29)
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n/an/an/an/a 500n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (Opioid receptor delta 1)

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027090
PNG
(1N-(11-hydroxy-15-methoxy-3-methyl-13-oxa-3-azahex...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1NC(=O)CBr)C1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |wD:22.22,5.4,7.8,2.1,c:3,TLB:20:28:5:26.24.25,27:26:5:28.15.14,THB:4:5:28.15.14:26.24.25,(18.84,-22.1,;18.86,-20.54,;18.08,-19.25,;16.74,-18.47,;17.89,-17.37,;16.54,-16.6,;18.08,-16.63,;18.84,-17.9,;20.39,-17.9,;21.51,-18.99,;21.12,-20.49,;23.01,-18.57,;24.11,-19.65,;15.82,-15.24,;14.3,-15.2,;13.5,-16.53,;11.97,-16.5,;11.17,-17.76,;11.92,-19.12,;11.11,-20.42,;13.47,-19.15,;14.89,-20.09,;16.51,-19.22,;15.77,-17.87,;15.57,-16.5,;14.86,-15.77,;15.8,-13.68,;17.15,-12.89,;14.25,-17.84,)|
Show InChI InChI=1S/C22H25BrN2O4/c1-25-8-7-21-17-12-3-4-13(26)18(17)29-19(21)22(28-2)6-5-20(21,15(25)9-12)10-14(22)24-16(27)11-23/h3-6,14-15,19,26H,7-11H2,1-2H3,(H,24,27)/t14-,15?,19+,20+,21?,22+/m0/s1
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n/an/an/an/a 70n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (mu opiate receptors).

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027086
PNG
(3-[1-(2-Diethylamino-ethyl)-2-(4-ethoxy-benzyl)-1H...)
Show SMILES CCOc1ccc(Cc2nc3cc(NC(=O)\C=C\C(=O)OC)ccc3n2CCN(CC)CC)cc1
Show InChI InChI=1S/C27H34N4O4/c1-5-30(6-2)16-17-31-24-13-10-21(28-26(32)14-15-27(33)34-4)19-23(24)29-25(31)18-20-8-11-22(12-9-20)35-7-3/h8-15,19H,5-7,16-18H2,1-4H3,(H,28,32)/b15-14+
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n/an/an/an/a 240n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (Opioid receptor delta 1)

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027088
PNG
(CHEMBL291099 | N-(1-{2-[4-(2-Bromo-acetylamino)-ph...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccc(NC(=O)CBr)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C24H30BrN3O2/c1-2-24(30)28(21-6-4-3-5-7-21)22-13-16-27(17-14-22)15-12-19-8-10-20(11-9-19)26-23(29)18-25/h3-11,22H,2,12-18H2,1H3,(H,26,29)
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n/an/an/an/a 200n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to neuroblastoma X glioma hybrid cell NG108-15 (Opioid receptor delta 1)membranes

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027085
PNG
(CHEMBL38832 | {2-[2-(4-Ethoxy-benzyl)-5-isothiocya...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C=S)cc1
Show InChI InChI=1S/C23H28N4OS/c1-4-26(5-2)13-14-27-22-12-9-19(24-17-29)16-21(22)25-23(27)15-18-7-10-20(11-8-18)28-6-3/h7-12,16H,4-6,13-15H2,1-3H3
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n/an/an/an/a 10n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (mu opiate receptors).

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50027089
PNG
(methyl 3-(11-hydroxy-15-methoxy-3-methyl-13-oxa-3-...)
Show SMILES COC(=O)\C=C\C(=O)N[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |wD:17.18,11.11,9.8,14.15,c:12,TLB:19:20:11:24.27.26,12:11:20.21.22:24.27.26,25:24:11:20.21.22,(25.56,-19.2,;25.95,-17.71,;24.85,-16.61,;25.24,-15.13,;23.37,-17.03,;22.98,-18.54,;21.48,-18.96,;21.09,-20.46,;20.36,-17.87,;18.81,-17.87,;18.06,-16.6,;16.52,-16.57,;17.86,-17.35,;16.71,-18.44,;18.06,-19.22,;18.83,-20.51,;18.81,-22.06,;16.49,-19.19,;14.87,-20.06,;13.45,-19.12,;14.22,-17.81,;13.48,-16.51,;14.28,-15.18,;15.8,-15.21,;15.77,-13.66,;17.12,-12.87,;14.84,-15.74,;15.55,-16.47,;15.74,-17.84,;11.95,-16.47,;11.16,-17.73,;11.9,-19.09,;11.09,-20.39,)|
Show InChI InChI=1S/C25H28N2O6/c1-27-11-10-24-20-14-4-5-15(28)21(20)33-22(24)25(32-3)9-8-23(24,17(27)12-14)13-16(25)26-18(29)6-7-19(30)31-2/h4-9,16-17,22,28H,10-13H2,1-3H3,(H,26,29)/b7-6+/t16-,17?,22+,23+,24?,25+/m0/s1
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n/an/an/an/a 50n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (Opioid receptor delta 1)

J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%