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Compile Data Set for Download or QSAR

Found 267 hits with Last Name = 'marastoni' and Initial = 'm'   
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))
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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0.150n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor delta 1 binding affinity by displacement of radioligand [3H][D-Pen]-enkephalin (DPDPE) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50059841
PNG
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
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0.280n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity by displacement of radioligand [3H][DAla,MePhe,Gly-ol]enkephalin (DAGO) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50369310
PNG
(CHEMBL1790778)
Show SMILES C[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C49H65N9O16/c1-25(54-44(68)32(50)19-28-10-14-30(60)15-11-28)43(67)56-33(20-27-7-4-3-5-8-27)45(69)53-23-38(63)55-34(21-29-12-16-31(61)17-13-29)48(72)58-18-6-9-35(58)46(70)57-39(47(71)52-22-37(51)62)26(2)73-49-42(66)41(65)40(64)36(24-59)74-49/h3-5,7-8,10-17,25-26,32-36,39-42,49,59-61,64-66H,6,9,18-24,50H2,1-2H3,(H2,51,62)(H,52,71)(H,53,69)(H,54,68)(H,55,63)(H,56,67)(H,57,70)/t25-,26+,32+,33+,34+,35+,36+,39+,40+,41-,42+,49+/m1/s1
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0.290n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity by displacement of radioligand [3H][DAla,MePhe,Gly-ol]enkephalin (DAGO) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50369309
PNG
(CHEMBL2369626)
Show SMILES C[C@@H](O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C57H73N9O20/c1-29(62-52(76)40(58)23-36-14-18-38(71)19-15-36)51(75)64-41(24-35-11-8-7-9-12-35)53(77)61-27-46(74)63-42(25-37-16-20-39(72)21-17-37)56(80)66-22-10-13-43(66)54(78)65-47(55(79)60-26-45(59)73)30(2)82-57-50(85-34(6)70)49(84-33(5)69)48(83-32(4)68)44(86-57)28-81-31(3)67/h7-9,11-12,14-21,29-30,40-44,47-50,57,71-72H,10,13,22-28,58H2,1-6H3,(H2,59,73)(H,60,79)(H,61,77)(H,62,76)(H,63,74)(H,64,75)(H,65,78)/t29-,30-,40+,41+,42+,43+,44+,47+,48+,49-,50+,57+/m1/s1
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0.460n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity by displacement of radioligand [3H][DAla,MePhe,Gly-ol]enkephalin (DAGO) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50369311
PNG
(CHEMBL1790779)
Show SMILES CC(C)[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(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@H](C)O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C55H77N9O21/c1-25(2)42(62-51(76)38(22-41(71)72)61-50(75)37(21-33-14-12-11-13-15-33)60-48(73)27(5)59-49(74)36(56)20-34-16-18-35(69)19-17-34)53(78)63-43(26(3)4)54(79)64-44(52(77)58-23-40(57)70)28(6)81-55-47(84-32(10)68)46(83-31(9)67)45(82-30(8)66)39(85-55)24-80-29(7)65/h11-19,25-28,36-39,42-47,55,69H,20-24,56H2,1-10H3,(H2,57,70)(H,58,77)(H,59,74)(H,60,73)(H,61,75)(H,62,76)(H,63,78)(H,64,79)(H,71,72)/t27-,28+,36+,37+,38+,39+,42+,43+,44+,45+,46-,47+,55+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor delta 1 binding affinity by displacement of radioligand [3H][D-Pen]-enkephalin (DPDPE) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50059837
PNG
(CHEMBL2370328 | Tyr-D-Ala-Phe-Asp-Val-Val-Thr[Beta...)
Show SMILES CC(C)[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(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)NCC(N)=O
Show InChI InChI=1S/C47H69N9O17/c1-21(2)34(45(70)55-35(22(3)4)46(71)56-36(44(69)50-19-32(49)59)24(6)72-47-39(64)38(63)37(62)31(20-57)73-47)54-43(68)30(18-33(60)61)53-42(67)29(17-25-10-8-7-9-11-25)52-40(65)23(5)51-41(66)28(48)16-26-12-14-27(58)15-13-26/h7-15,21-24,28-31,34-39,47,57-58,62-64H,16-20,48H2,1-6H3,(H2,49,59)(H,50,69)(H,51,66)(H,52,65)(H,53,67)(H,54,68)(H,55,70)(H,56,71)(H,60,61)/t23-,24-,28+,29+,30+,31-,34+,35+,36+,37-,38+,39-,47+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor delta 1 binding affinity by displacement of radioligand [3H][D-Pen]-enkephalin (DPDPE) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50369310
PNG
(CHEMBL1790778)
Show SMILES C[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C49H65N9O16/c1-25(54-44(68)32(50)19-28-10-14-30(60)15-11-28)43(67)56-33(20-27-7-4-3-5-8-27)45(69)53-23-38(63)55-34(21-29-12-16-31(61)17-13-29)48(72)58-18-6-9-35(58)46(70)57-39(47(71)52-22-37(51)62)26(2)73-49-42(66)41(65)40(64)36(24-59)74-49/h3-5,7-8,10-17,25-26,32-36,39-42,49,59-61,64-66H,6,9,18-24,50H2,1-2H3,(H2,51,62)(H,52,71)(H,53,69)(H,54,68)(H,55,63)(H,56,67)(H,57,70)/t25-,26+,32+,33+,34+,35+,36+,39+,40+,41-,42+,49+/m1/s1
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67n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor delta 1 binding affinity by displacement of radioligand [3H][D-Pen]-enkephalin (DPDPE) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50059841
PNG
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
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83n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor delta 1 binding affinity by displacement of radioligand [3H][D-Pen]-enkephalin (DPDPE) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50369309
PNG
(CHEMBL2369626)
Show SMILES C[C@@H](O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C57H73N9O20/c1-29(62-52(76)40(58)23-36-14-18-38(71)19-15-36)51(75)64-41(24-35-11-8-7-9-12-35)53(77)61-27-46(74)63-42(25-37-16-20-39(72)21-17-37)56(80)66-22-10-13-43(66)54(78)65-47(55(79)60-26-45(59)73)30(2)82-57-50(85-34(6)70)49(84-33(5)69)48(83-32(4)68)44(86-57)28-81-31(3)67/h7-9,11-12,14-21,29-30,40-44,47-50,57,71-72H,10,13,22-28,58H2,1-6H3,(H2,59,73)(H,60,79)(H,61,77)(H,62,76)(H,63,74)(H,64,75)(H,65,78)/t29-,30-,40+,41+,42+,43+,44+,47+,48+,49-,50+,57+/m1/s1
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87n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor delta 1 binding affinity by displacement of radioligand [3H][D-Pen]-enkephalin (DPDPE) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(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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147n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity by displacement of radioligand [3H][DAla,MePhe,Gly-ol]enkephalin (DAGO) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50059837
PNG
(CHEMBL2370328 | Tyr-D-Ala-Phe-Asp-Val-Val-Thr[Beta...)
Show SMILES CC(C)[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(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)NCC(N)=O
Show InChI InChI=1S/C47H69N9O17/c1-21(2)34(45(70)55-35(22(3)4)46(71)56-36(44(69)50-19-32(49)59)24(6)72-47-39(64)38(63)37(62)31(20-57)73-47)54-43(68)30(18-33(60)61)53-42(67)29(17-25-10-8-7-9-11-25)52-40(65)23(5)51-41(66)28(48)16-26-12-14-27(58)15-13-26/h7-15,21-24,28-31,34-39,47,57-58,62-64H,16-20,48H2,1-6H3,(H2,49,59)(H,50,69)(H,51,66)(H,52,65)(H,53,67)(H,54,68)(H,55,70)(H,56,71)(H,60,61)/t23-,24-,28+,29+,30+,31-,34+,35+,36+,37-,38+,39-,47+/m1/s1
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579n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity by displacement of radioligand [3H][DAla,MePhe,Gly-ol]enkephalin (DAGO) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50369311
PNG
(CHEMBL1790779)
Show SMILES CC(C)[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(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@H](C)O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C55H77N9O21/c1-25(2)42(62-51(76)38(22-41(71)72)61-50(75)37(21-33-14-12-11-13-15-33)60-48(73)27(5)59-49(74)36(56)20-34-16-18-35(69)19-17-34)53(78)63-43(26(3)4)54(79)64-44(52(77)58-23-40(57)70)28(6)81-55-47(84-32(10)68)46(83-31(9)67)45(82-30(8)66)39(85-55)24-80-29(7)65/h11-19,25-28,36-39,42-47,55,69H,20-24,56H2,1-10H3,(H2,57,70)(H,58,77)(H,59,74)(H,60,73)(H,61,75)(H,62,76)(H,63,78)(H,64,79)(H,71,72)/t27-,28+,36+,37+,38+,39+,42+,43+,44+,45+,46-,47+,55+/m1/s1
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635n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity by displacement of radioligand [3H][DAla,MePhe,Gly-ol]enkephalin (DAGO) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50059834
PNG
(CHEMBL2370331 | Tyr-D-Ala-Phe-Thr[Beta-D-Glc(OAc)4...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C51H72N8O18/c1-24(2)39(48(69)54-22-38(53)65)57-49(70)40(25(3)4)58-50(71)41(27(6)73-51-44(76-31(10)63)43(75-30(9)62)42(74-29(8)61)37(77-51)23-72-28(7)60)59-47(68)36(21-32-14-12-11-13-15-32)56-45(66)26(5)55-46(67)35(52)20-33-16-18-34(64)19-17-33/h11-19,24-27,35-37,39-44,51,64H,20-23,52H2,1-10H3,(H2,53,65)(H,54,69)(H,55,67)(H,56,66)(H,57,70)(H,58,71)(H,59,68)/t26-,27-,35+,36+,37-,39+,40+,41+,42-,43+,44-,51+/m1/s1
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1.52E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity by displacement of radioligand [3H][DAla,MePhe,Gly-ol]enkephalin (DAGO) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50059838
PNG
(CHEMBL2370329 | Tyr-D-Ala-Phe-Thr(-D-Glc)-Tyr-Pro-...)
Show SMILES C[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C48H64N8O16/c1-24(51-43(66)31(49)19-27-10-14-29(59)15-11-27)42(65)52-32(20-26-7-4-3-5-8-26)44(67)55-37(25(2)71-48-40(63)39(62)38(61)36(23-58)72-48)46(69)53-33(21-28-12-16-30(60)17-13-28)47(70)56-18-6-9-35(56)45(68)54-34(22-57)41(50)64/h3-5,7-8,10-17,24-25,31-40,48,57-63H,6,9,18-23,49H2,1-2H3,(H2,50,64)(H,51,66)(H,52,65)(H,53,69)(H,54,68)(H,55,67)/t24-,25-,31+,32+,33+,34+,35+,36-,37+,38-,39+,40-,48+/m1/s1
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1.70E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity by displacement of radioligand [3H][DAla,MePhe,Gly-ol]enkephalin (DAGO) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50059838
PNG
(CHEMBL2370329 | Tyr-D-Ala-Phe-Thr(-D-Glc)-Tyr-Pro-...)
Show SMILES C[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C48H64N8O16/c1-24(51-43(66)31(49)19-27-10-14-29(59)15-11-27)42(65)52-32(20-26-7-4-3-5-8-26)44(67)55-37(25(2)71-48-40(63)39(62)38(61)36(23-58)72-48)46(69)53-33(21-28-12-16-30(60)17-13-28)47(70)56-18-6-9-35(56)45(68)54-34(22-57)41(50)64/h3-5,7-8,10-17,24-25,31-40,48,57-63H,6,9,18-23,49H2,1-2H3,(H2,50,64)(H,51,66)(H,52,65)(H,53,69)(H,54,68)(H,55,67)/t24-,25-,31+,32+,33+,34+,35+,36-,37+,38-,39+,40-,48+/m1/s1
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1.76E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor delta 1 binding affinity by displacement of radioligand [3H][D-Pen]-enkephalin (DPDPE) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50059842
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H64N8O14/c1-20(2)31(40(61)46-18-30(45)54)49-41(62)32(21(3)4)50-42(63)33(23(6)64-43-36(57)35(56)34(55)29(19-52)65-43)51-39(60)28(17-24-10-8-7-9-11-24)48-37(58)22(5)47-38(59)27(44)16-25-12-14-26(53)15-13-25/h7-15,20-23,27-29,31-36,43,52-53,55-57H,16-19,44H2,1-6H3,(H2,45,54)(H,46,61)(H,47,59)(H,48,58)(H,49,62)(H,50,63)(H,51,60)/t22-,23-,27+,28+,29-,31+,32+,33+,34-,35-,36-,43+/m1/s1
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1.99E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity by displacement of radioligand [3H][DAla,MePhe,Gly-ol]enkephalin (DAGO) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50059834
PNG
(CHEMBL2370331 | Tyr-D-Ala-Phe-Thr[Beta-D-Glc(OAc)4...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C51H72N8O18/c1-24(2)39(48(69)54-22-38(53)65)57-49(70)40(25(3)4)58-50(71)41(27(6)73-51-44(76-31(10)63)43(75-30(9)62)42(74-29(8)61)37(77-51)23-72-28(7)60)59-47(68)36(21-32-14-12-11-13-15-32)56-45(66)26(5)55-46(67)35(52)20-33-16-18-34(64)19-17-33/h11-19,24-27,35-37,39-44,51,64H,20-23,52H2,1-10H3,(H2,53,65)(H,54,69)(H,55,67)(H,56,66)(H,57,70)(H,58,71)(H,59,68)/t26-,27-,35+,36+,37-,39+,40+,41+,42-,43+,44-,51+/m1/s1
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2.11E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor delta 1 binding affinity by displacement of radioligand [3H][D-Pen]-enkephalin (DPDPE) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50059839
PNG
(CHEMBL2370333 | Tyr-D-Ala-Phe-Thr[-D-Glc(OAc)4]-Ty...)
Show SMILES C[C@@H](O[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C56H72N8O20/c1-28(59-51(74)39(57)23-35-14-18-37(70)19-15-35)50(73)60-40(24-34-11-8-7-9-12-34)52(75)63-45(29(2)80-56-48(83-33(6)69)47(82-32(5)68)46(81-31(4)67)44(84-56)27-79-30(3)66)54(77)61-41(25-36-16-20-38(71)21-17-36)55(78)64-22-10-13-43(64)53(76)62-42(26-65)49(58)72/h7-9,11-12,14-21,28-29,39-48,56,65,70-71H,10,13,22-27,57H2,1-6H3,(H2,58,72)(H,59,74)(H,60,73)(H,61,77)(H,62,76)(H,63,75)/t28-,29-,39+,40+,41+,42+,43+,44-,45+,46+,47-,48-,56+/m1/s1
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4.40E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity by displacement of radioligand [3H][DAla,MePhe,Gly-ol]enkephalin (DAGO) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50059842
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H64N8O14/c1-20(2)31(40(61)46-18-30(45)54)49-41(62)32(21(3)4)50-42(63)33(23(6)64-43-36(57)35(56)34(55)29(19-52)65-43)51-39(60)28(17-24-10-8-7-9-11-24)48-37(58)22(5)47-38(59)27(44)16-25-12-14-26(53)15-13-25/h7-15,20-23,27-29,31-36,43,52-53,55-57H,16-19,44H2,1-6H3,(H2,45,54)(H,46,61)(H,47,59)(H,48,58)(H,49,62)(H,50,63)(H,51,60)/t22-,23-,27+,28+,29-,31+,32+,33+,34-,35-,36-,43+/m1/s1
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9.50E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor delta 1 binding affinity by displacement of radioligand [3H][D-Pen]-enkephalin (DPDPE) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50059839
PNG
(CHEMBL2370333 | Tyr-D-Ala-Phe-Thr[-D-Glc(OAc)4]-Ty...)
Show SMILES C[C@@H](O[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C56H72N8O20/c1-28(59-51(74)39(57)23-35-14-18-37(70)19-15-35)50(73)60-40(24-34-11-8-7-9-12-34)52(75)63-45(29(2)80-56-48(83-33(6)69)47(82-32(5)68)46(81-31(4)67)44(84-56)27-79-30(3)66)54(77)61-41(25-36-16-20-38(71)21-17-36)55(78)64-22-10-13-43(64)53(76)62-42(26-65)49(58)72/h7-9,11-12,14-21,28-29,39-48,56,65,70-71H,10,13,22-27,57H2,1-6H3,(H2,58,72)(H,59,74)(H,60,73)(H,61,77)(H,62,76)(H,63,75)/t28-,29-,39+,40+,41+,42+,43+,44-,45+,46+,47-,48-,56+/m1/s1
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2.26E+4n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor delta 1 binding affinity by displacement of radioligand [3H][D-Pen]-enkephalin (DPDPE) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009142
PNG
((S)-3-((S)-2-{(S)-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-/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226283
PNG
(CHEMBL172293)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6])-c1ccccc1
Show InChI InChI=1S/C37H48N8O6S/c1-23(27-12-8-5-9-13-27)41-32(47)22-40-34(49)30(20-25-10-6-4-7-11-25)44-33(48)24(2)42-35(50)29(18-19-52-3)43-36(51)31(45-37(38)39)21-26-14-16-28(46)17-15-26/h4-17,23-24,29-31,46H,18-22H2,1-3H3,(H,40,49)(H,41,47)(H,42,50)(H,43,51)(H,44,48)(H4,38,39,45)/t23?,24-,29+,30-,31-/m0/s1
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n/an/a 0.280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against opioid activity in guinea pig ileum


J Med Chem 29: 889-94 (1986)


BindingDB Entry DOI: 10.7270/Q2959KSW
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226282
PNG
(CHEMBL170858)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC(C)c1ccccc1
Show InChI InChI=1S/C36H46N6O6S/c1-23(27-12-8-5-9-13-27)39-32(44)22-38-35(47)31(21-25-10-6-4-7-11-25)42-33(45)24(2)40-36(48)30(18-19-49-3)41-34(46)29(37)20-26-14-16-28(43)17-15-26/h4-17,23-24,29-31,43H,18-22,37H2,1-3H3,(H,38,47)(H,39,44)(H,40,48)(H,41,46)(H,42,45)/t23?,24-,29-,30+,31-/m0/s1
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n/an/a 0.590n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against opioid activity in guinea pig ileum


J Med Chem 29: 889-94 (1986)


BindingDB Entry DOI: 10.7270/Q2959KSW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009193
PNG
((S)-4-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009190
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](Cc1ccc(O)cc1)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/C47H64N8O11S2/c1-27(2)22-37(45(64)51-35(19-21-68-4)43(62)52-36(41(49)60)26-40(58)59)53-46(65)39(25-30-12-16-32(57)17-13-30)55-47(66)38(24-28-8-6-5-7-9-28)54-44(63)34(18-20-67-3)50-42(61)33(48)23-29-10-14-31(56)15-11-29/h5-17,27,33-39,56-57H,18-26,48H2,1-4H3,(H2,49,60)(H,50,61)(H,51,64)(H,52,62)(H,53,65)(H,54,63)(H,55,66)(H,58,59)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50009142
PNG
((S)-3-((S)-2-{(S)-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-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
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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n/an/a 1.30n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009194
PNG
(2-(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(O)=O
Show InChI InChI=1S/C44H61N9O11S2/c1-25(2)18-33(41(60)49-32(15-17-66-4)40(59)53-36(44(63)64)22-37(55)56)50-43(62)35(21-28-23-46-24-47-28)52-42(61)34(20-26-8-6-5-7-9-26)51-39(58)31(14-16-65-3)48-38(57)30(45)19-27-10-12-29(54)13-11-27/h5-13,23-25,30-36,54H,14-22,45H2,1-4H3,(H,46,47)(H,48,57)(H,49,60)(H,50,62)(H,51,58)(H,52,61)(H,53,59)(H,55,56)(H,63,64)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50059841
PNG
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50059841
PNG
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro opioid inhibitory activity against in guinea pig ileum


J Med Chem 29: 889-94 (1986)


BindingDB Entry DOI: 10.7270/Q2959KSW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009183
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=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/C38H55N9O9/c1-20(2)31(37(55)42-19-30(41)50)47-38(56)32(21(3)4)46-35(53)27(15-16-29(40)49)44-36(54)28(18-23-9-7-6-8-10-23)45-33(51)22(5)43-34(52)26(39)17-24-11-13-25(48)14-12-24/h6-14,20-22,26-28,31-32,48H,15-19,39H2,1-5H3,(H2,40,49)(H2,41,50)(H,42,55)(H,43,52)(H,44,54)(H,45,51)(H,46,53)(H,47,56)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in mouse vas deferens (MVD) assay mediated by Opioid receptor delta 1


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50009142
PNG
((S)-3-((S)-2-{(S)-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-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009198
PNG
(2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl...)
Show SMILES CC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C44H64N10O8S2/c1-6-32(38(46)56)49-40(58)34(17-19-64-5)51-42(60)35(20-26(2)3)52-44(62)37(23-29-24-47-25-48-29)54-43(61)36(22-27-10-8-7-9-11-27)53-41(59)33(16-18-63-4)50-39(57)31(45)21-28-12-14-30(55)15-13-28/h7-15,24-26,31-37,55H,6,16-23,45H2,1-5H3,(H2,46,56)(H,47,48)(H,49,58)(H,50,57)(H,51,60)(H,52,62)(H,53,59)(H,54,61)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009196
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](Cc1ccccc1)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/C47H64N8O10S2/c1-28(2)23-37(45(63)51-35(20-22-67-4)43(61)52-36(41(49)59)27-40(57)58)53-46(64)39(26-30-13-9-6-10-14-30)55-47(65)38(25-29-11-7-5-8-12-29)54-44(62)34(19-21-66-3)50-42(60)33(48)24-31-15-17-32(56)18-16-31/h5-18,28,33-39,56H,19-27,48H2,1-4H3,(H2,49,59)(H,50,60)(H,51,63)(H,52,61)(H,53,64)(H,54,62)(H,55,65)(H,57,58)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009187
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)NCC(=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/C40H58N8O10S2/c1-23(2)18-31(40(58)46-29(15-17-60-4)38(56)47-30(35(42)53)21-34(51)52)44-33(50)22-43-37(55)32(20-24-8-6-5-7-9-24)48-39(57)28(14-16-59-3)45-36(54)27(41)19-25-10-12-26(49)13-11-25/h5-13,23,27-32,49H,14-22,41H2,1-4H3,(H2,42,53)(H,43,55)(H,44,50)(H,45,54)(H,46,58)(H,47,56)(H,48,57)(H,51,52)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in mouse vas deferens (MVD) assay mediated by Opioid receptor delta 1


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226284
PNG
(CHEMBL170091)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:40:41:43.44.48:46,48:43:50:47.49.46,48:47:50:43.42.44,THB:42:41:43.44.48:46,42:43:41.50.49:46|
Show InChI InChI=1S/C38H52N6O6S/c1-23(41-37(50)31(12-13-51-2)42-35(48)30(39)17-25-8-10-29(45)11-9-25)34(47)43-32(18-24-6-4-3-5-7-24)36(49)40-22-33(46)44-38-19-26-14-27(20-38)16-28(15-26)21-38/h3-11,23,26-28,30-32,45H,12-22,39H2,1-2H3,(H,40,49)(H,41,50)(H,42,48)(H,43,47)(H,44,46)/t23-,26?,27?,28?,30-,31+,32-,38?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against opioid activity in guinea pig ileum


J Med Chem 29: 889-94 (1986)


BindingDB Entry DOI: 10.7270/Q2959KSW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50009194
PNG
(2-(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(O)=O
Show InChI InChI=1S/C44H61N9O11S2/c1-25(2)18-33(41(60)49-32(15-17-66-4)40(59)53-36(44(63)64)22-37(55)56)50-43(62)35(21-28-23-46-24-47-28)52-42(61)34(20-26-8-6-5-7-9-26)51-39(58)31(14-16-65-3)48-38(57)30(45)19-27-10-12-29(54)13-11-27/h5-13,23-25,30-36,54H,14-22,45H2,1-4H3,(H,46,47)(H,48,57)(H,49,60)(H,50,62)(H,51,58)(H,52,61)(H,53,59)(H,55,56)(H,63,64)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226289
PNG
(CHEMBL369354)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:49:44:51:48.50.47,49:48:51:44.43.45,THB:47:46:43:48.50.49,47:48:43:46.51.45|
Show InChI InChI=1S/C39H54N6O6S/c1-24(41-37(50)32(13-14-52-3)42-36(49)31(40)18-26-9-11-30(46)12-10-26)35(48)43-33(19-25-7-5-4-6-8-25)38(51)45(2)23-34(47)44-39-20-27-15-28(21-39)17-29(16-27)22-39/h4-12,24,27-29,31-33,46H,13-23,40H2,1-3H3,(H,41,50)(H,42,49)(H,43,48)(H,44,47)/t24-,27?,28?,29?,31-,32+,33-,39?/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro opioid inhibitory activity against in guinea pig ileum


J Med Chem 29: 889-94 (1986)


BindingDB Entry DOI: 10.7270/Q2959KSW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
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 2.70n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in mouse vas deferens (MVD) assay mediated by Opioid receptor delta 1


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226286
PNG
(CHEMBL296148)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCc1ccccc1
Show InChI InChI=1S/C35H44N6O6S/c1-23(39-35(47)29(17-18-48-2)40-33(45)28(36)19-25-13-15-27(42)16-14-25)32(44)41-30(20-24-9-5-3-6-10-24)34(46)38-22-31(43)37-21-26-11-7-4-8-12-26/h3-16,23,28-30,42H,17-22,36H2,1-2H3,(H,37,43)(H,38,46)(H,39,47)(H,40,45)(H,41,44)/t23-,28-,29+,30-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro opioid inhibitory activity against in guinea pig ileum


J Med Chem 29: 889-94 (1986)


BindingDB Entry DOI: 10.7270/Q2959KSW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50059841
PNG
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50009193
PNG
((S)-4-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50009183
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=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/C38H55N9O9/c1-20(2)31(37(55)42-19-30(41)50)47-38(56)32(21(3)4)46-35(53)27(15-16-29(40)49)44-36(54)28(18-23-9-7-6-8-10-23)45-33(51)22(5)43-34(52)26(39)17-24-11-13-25(48)14-12-24/h6-14,20-22,26-28,31-32,48H,15-19,39H2,1-5H3,(H2,40,49)(H2,41,50)(H,42,55)(H,43,52)(H,44,54)(H,45,51)(H,46,53)(H,47,56)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]DSLET (Opioid receptor delta 1-selective radioligand)


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50009193
PNG
((S)-4-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50009192
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
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(N)=O
Show InChI InChI=1S/C35H49N7O9/c1-18(2)28(30(37)46)41-35(51)29(19(3)4)42-34(50)26(17-27(44)45)40-33(49)25(16-21-9-7-6-8-10-21)39-31(47)20(5)38-32(48)24(36)15-22-11-13-23(43)14-12-22/h6-14,18-20,24-26,28-29,43H,15-17,36H2,1-5H3,(H2,37,46)(H,38,48)(H,39,47)(H,40,49)(H,41,51)(H,42,50)(H,44,45)/t20-,24-,25-,26-,28-,29-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50009194
PNG
(2-(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(O)=O
Show InChI InChI=1S/C44H61N9O11S2/c1-25(2)18-33(41(60)49-32(15-17-66-4)40(59)53-36(44(63)64)22-37(55)56)50-43(62)35(21-28-23-46-24-47-28)52-42(61)34(20-26-8-6-5-7-9-26)51-39(58)31(14-16-65-3)48-38(57)30(45)19-27-10-12-29(54)13-11-27/h5-13,23-25,30-36,54H,14-22,45H2,1-4H3,(H,46,47)(H,48,57)(H,49,60)(H,50,62)(H,51,58)(H,52,61)(H,53,59)(H,55,56)(H,63,64)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane


J Med Chem 34: 1656-61 (1991)


BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50019829
PNG
(CHEMBL2372402 | N-[1-(Carbamoylmethyl-carbamoyl)-2...)
Show SMILES [#6][S+]([#8-])[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
Show InChI InChI=1S/C26H35N7O6S/c1-40(39)12-11-19(31-25(38)21(33-26(28)29)14-17-7-9-18(34)10-8-17)24(37)32-20(23(36)30-15-22(27)35)13-16-5-3-2-4-6-16/h2-10,19-21,34H,11-15H2,1H3,(H2,27,35)(H,30,36)(H,31,38)(H,32,37)(H4,28,29,33)/t19-,20-,21-,40?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50019839
PNG
((2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino...)
Show SMILES COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C26H34N4O7S/c1-37-23(32)16-28-25(34)22(15-17-6-4-3-5-7-17)30-26(35)21(12-13-38(2)36)29-24(33)20(27)14-18-8-10-19(31)11-9-18/h3-11,20-22,31H,12-16,27H2,1-2H3,(H,28,34)(H,29,33)(H,30,35)/t20-,21-,22-,38?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain


J Med Chem 30: 1538-42 (1987)


BindingDB Entry DOI: 10.7270/Q20Z73VC
More data for this
Ligand-Target Pair
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