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Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'scolaro' and Initial = 'b'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(MOUSE)
BDBM50073519
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)N1CC(O)C[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C43H57N9O10/c1-25(48-40(59)32(45)19-27-10-14-29(53)15-11-27)39(58)51-34(20-26-7-3-2-4-8-26)41(60)47-23-37(56)49-35(21-28-12-16-30(54)17-13-28)43(62)52-24-31(55)22-36(52)42(61)50-33(38(46)57)9-5-6-18-44/h2-4,7-8,10-17,25,31-36,53-55H,5-6,9,18-24,44-45H2,1H3,(H2,46,57)(H,47,60)(H,48,59)(H,49,56)(H,50,61)(H,51,58)/t25-,31?,32+,33+,34+,35+,36+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
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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0.800n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-NLT from Opioid receptor delta 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
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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1.10n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50073517
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]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(N)=O
Show InChI InChI=1S/C40H50N8O9/c1-23(35(42)52)44-39(56)33-9-6-18-48(33)40(57)32(21-27-12-16-29(50)17-13-27)46-34(51)22-43-38(55)31(20-25-7-4-3-5-8-25)47-36(53)24(2)45-37(54)30(41)19-26-10-14-28(49)15-11-26/h3-5,7-8,10-17,23-24,30-33,49-50H,6,9,18-22,41H2,1-2H3,(H2,42,52)(H,43,55)(H,44,56)(H,45,54)(H,46,51)(H,47,53)/t23-,24+,30-,31-,32-,33-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50073522
PNG
(2-({1-[2-(2-{2-[2-(2-Amino-2-(4-hydroxy-phenyl)-ac...)
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(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C46H59N7O16/c1-24(49-41(62)30(47)18-26-9-13-28(55)14-10-26)40(61)51-31(19-25-6-3-2-4-7-25)42(63)48-21-36(57)50-32(20-27-11-15-29(56)16-12-27)44(65)53-17-5-8-34(53)43(64)52-33(22-54)45(66)68-23-35-37(58)38(59)39(60)46(67)69-35/h2-4,6-7,9-16,24,30-35,37-39,46,54-56,58-60,67H,5,8,17-23,47H2,1H3,(H,48,63)(H,49,62)(H,50,57)(H,51,61)(H,52,64)/t24-,30+,31+,32+,33+,34+,35-,37-,38+,39-,46+/m1/s1
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2.40n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50073523
PNG
(2-({1-[2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pr...)
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](C)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C46H59N7O15/c1-24(49-41(61)31(47)19-27-10-14-29(54)15-11-27)40(60)52-32(20-26-7-4-3-5-8-26)42(62)48-22-36(56)51-33(21-28-12-16-30(55)17-13-28)44(64)53-18-6-9-34(53)43(63)50-25(2)45(65)67-23-35-37(57)38(58)39(59)46(66)68-35/h3-5,7-8,10-17,24-25,31-35,37-39,46,54-55,57-59,66H,6,9,18-23,47H2,1-2H3,(H,48,62)(H,49,61)(H,50,63)(H,51,56)(H,52,60)/t24-,25+,31+,32+,33+,34+,35-,37+,38+,39-,46+/m1/s1
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2.5n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50073518
PNG
(2-({1-[2-(2-{2-[2-(2-Amino-2-[4-hydroxy-phenyl]-ac...)
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(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C48H61N7O17/c1-25(51-43(64)32(49)19-28-10-14-30(58)15-11-28)42(63)53-33(20-27-7-4-3-5-8-27)44(65)50-22-38(60)52-34(21-29-12-16-31(59)17-13-29)46(67)55-18-6-9-36(55)45(66)54-35(23-56)47(68)70-24-37-41(71-26(2)57)39(61)40(62)48(69)72-37/h3-5,7-8,10-17,25,32-37,39-41,48,56,58-59,61-62,69H,6,9,18-24,49H2,1-2H3,(H,50,65)(H,51,64)(H,52,60)(H,53,63)(H,54,66)/t25-,32+,33+,34+,35+,36+,37-,39-,40-,41-,48+/m1/s1
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7.90n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50073525
PNG
(2-({1-[2-(2-{2-[2-(2-Amino-2-[4-hydroxy-phenyl]-ac...)
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](C)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1OC(C)=O
Show InChI InChI=1S/C48H61N7O16/c1-25(51-43(63)33(49)20-29-11-15-31(57)16-12-29)42(62)54-34(21-28-8-5-4-6-9-28)44(64)50-23-38(59)53-35(22-30-13-17-32(58)18-14-30)46(66)55-19-7-10-36(55)45(65)52-26(2)47(67)69-24-37-41(70-27(3)56)39(60)40(61)48(68)71-37/h4-6,8-9,11-18,25-26,33-37,39-41,48,57-58,60-61,68H,7,10,19-24,49H2,1-3H3,(H,50,64)(H,51,63)(H,52,65)(H,53,59)(H,54,62)/t25-,26+,33+,34+,35+,36+,37-,39-,40-,41+,48+/m1/s1
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11.2n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50073515
PNG
(CHEMBL405663 | N-(1-{1-[1-(3-Acetoxy-4,5,6-trihydr...)
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)N[C@H](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C44H63N7O17/c1-20(2)32(41(63)49-29(18-52)43(65)67-19-30-34(56)35(57)36(58)44(66)68-30)51-42(64)33(21(3)4)50-40(62)28(17-31(54)55)48-39(61)27(16-23-9-7-6-8-10-23)47-37(59)22(5)46-38(60)26(45)15-24-11-13-25(53)14-12-24/h6-14,20-22,26-30,32-36,44,52-53,56-58,66H,15-19,45H2,1-5H3,(H,46,60)(H,47,59)(H,48,61)(H,49,63)(H,50,62)(H,51,64)(H,54,55)/t22-,26+,27+,28+,29-,30-,32+,33+,34-,35+,36-,44+/m1/s1
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23n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-NLT from Opioid receptor delta 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50073521
PNG
(CHEMBL429717 | N-(1-{1-[1-(3-Acetoxy-4,5,6-trihydr...)
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](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C46H65N7O18/c1-21(2)34(43(65)51-31(19-54)45(67)69-20-32-38(70-24(6)55)36(59)37(60)46(68)71-32)53-44(66)35(22(3)4)52-42(64)30(18-33(57)58)50-41(63)29(17-25-10-8-7-9-11-25)49-39(61)23(5)48-40(62)28(47)16-26-12-14-27(56)15-13-26/h7-15,21-23,28-32,34-38,46,54,56,59-60,68H,16-20,47H2,1-6H3,(H,48,62)(H,49,61)(H,50,63)(H,51,65)(H,52,64)(H,53,66)(H,57,58)/t23-,28+,29+,30+,31-,32-,34+,35+,36-,37-,38-,46+/m1/s1
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28n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-NLT from Opioid receptor delta 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50073524
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
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](CO)C(N)=O
Show InChI InChI=1S/C38H54N8O11/c1-19(2)30(37(56)44-28(18-47)32(40)51)46-38(57)31(20(3)4)45-36(55)27(17-29(49)50)43-35(54)26(16-22-9-7-6-8-10-22)42-33(52)21(5)41-34(53)25(39)15-23-11-13-24(48)14-12-23/h6-14,19-21,25-28,30-31,47-48H,15-18,39H2,1-5H3,(H2,40,51)(H,41,53)(H,42,52)(H,43,54)(H,44,56)(H,45,55)(H,46,57)(H,49,50)/t21-,25+,26+,27+,28-,30+,31+/m1/s1
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30n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-NLT from Opioid receptor delta 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50073520
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
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)C(N)=O
Show InChI InChI=1S/C38H54N8O10/c1-19(2)30(37(55)41-21(5)32(40)50)46-38(56)31(20(3)4)45-36(54)28(18-29(48)49)44-35(53)27(17-23-10-8-7-9-11-23)43-33(51)22(6)42-34(52)26(39)16-24-12-14-25(47)15-13-24/h7-15,19-22,26-28,30-31,47H,16-18,39H2,1-6H3,(H2,40,50)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,48,49)/t21-,22-,26+,27+,28+,30+,31+/m1/s1
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40n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-NLT from Opioid receptor delta 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50073516
PNG
(CHEMBL268625 | N-(1-{1-[1-(3-Acetoxy-4,5,6-trihydr...)
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)C(=O)O[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1OC(C)=O
Show InChI InChI=1S/C45H63N7O17/c1-20(2)32(41(63)48-23(6)43(65)68-45-36(67-24(7)53)34(57)35(58)44(66)69-45)52-42(64)33(21(3)4)51-40(62)30(19-31(55)56)50-39(61)29(18-25-11-9-8-10-12-25)49-37(59)22(5)47-38(60)28(46)17-26-13-15-27(54)16-14-26/h8-16,20-23,28-30,32-36,44-45,54,57-58,66H,17-19,46H2,1-7H3,(H,47,60)(H,48,63)(H,49,59)(H,50,61)(H,51,62)(H,52,64)(H,55,56)/t22-,23-,28+,29+,30+,32+,33+,34-,35-,36-,44+,45+/m1/s1
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160n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-NLT from Opioid receptor delta 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50073526
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
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)C(=O)O[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C43H61N7O16/c1-19(2)30(39(61)46-22(6)41(63)65-43-34(56)32(54)33(55)42(64)66-43)50-40(62)31(20(3)4)49-38(60)28(18-29(52)53)48-37(59)27(17-23-10-8-7-9-11-23)47-35(57)21(5)45-36(58)26(44)16-24-12-14-25(51)15-13-24/h7-15,19-22,26-28,30-34,42-43,51,54-56,64H,16-18,44H2,1-6H3,(H,45,58)(H,46,61)(H,47,57)(H,48,59)(H,49,60)(H,50,62)(H,52,53)/t21-,22-,26+,27+,28+,30+,31+,32-,33-,34-,42+,43+/m1/s1
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176n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-NLT from Opioid receptor delta 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50073515
PNG
(CHEMBL405663 | N-(1-{1-[1-(3-Acetoxy-4,5,6-trihydr...)
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)N[C@H](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C44H63N7O17/c1-20(2)32(41(63)49-29(18-52)43(65)67-19-30-34(56)35(57)36(58)44(66)68-30)51-42(64)33(21(3)4)50-40(62)28(17-31(54)55)48-39(61)27(16-23-9-7-6-8-10-23)47-37(59)22(5)46-38(60)26(45)15-24-11-13-25(53)14-12-24/h6-14,20-22,26-30,32-36,44,52-53,56-58,66H,15-19,45H2,1-5H3,(H,46,60)(H,47,59)(H,48,61)(H,49,63)(H,50,62)(H,51,64)(H,54,55)/t22-,26+,27+,28+,29-,30-,32+,33+,34-,35+,36-,44+/m1/s1
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879n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
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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1.00E+3n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-NLT from Opioid receptor delta 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50073524
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
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](CO)C(N)=O
Show InChI InChI=1S/C38H54N8O11/c1-19(2)30(37(56)44-28(18-47)32(40)51)46-38(57)31(20(3)4)45-36(55)27(17-29(49)50)43-35(54)26(16-22-9-7-6-8-10-22)42-33(52)21(5)41-34(53)25(39)15-23-11-13-24(48)14-12-23/h6-14,19-21,25-28,30-31,47-48H,15-18,39H2,1-5H3,(H2,40,51)(H,41,53)(H,42,52)(H,43,54)(H,44,56)(H,45,55)(H,46,57)(H,49,50)/t21-,25+,26+,27+,28-,30+,31+/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50073517
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]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(N)=O
Show InChI InChI=1S/C40H50N8O9/c1-23(35(42)52)44-39(56)33-9-6-18-48(33)40(57)32(21-27-12-16-29(50)17-13-27)46-34(51)22-43-38(55)31(20-25-7-4-3-5-8-25)47-36(53)24(2)45-37(54)30(41)19-26-10-14-28(49)15-11-26/h3-5,7-8,10-17,23-24,30-33,49-50H,6,9,18-22,41H2,1-2H3,(H2,42,52)(H,43,55)(H,44,56)(H,45,54)(H,46,51)(H,47,53)/t23-,24+,30-,31-,32-,33-/m0/s1
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1.11E+3n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-NLT from Opioid receptor delta 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50073522
PNG
(2-({1-[2-(2-{2-[2-(2-Amino-2-(4-hydroxy-phenyl)-ac...)
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(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C46H59N7O16/c1-24(49-41(62)30(47)18-26-9-13-28(55)14-10-26)40(61)51-31(19-25-6-3-2-4-7-25)42(63)48-21-36(57)50-32(20-27-11-15-29(56)16-12-27)44(65)53-17-5-8-34(53)43(64)52-33(22-54)45(66)68-23-35-37(58)38(59)39(60)46(67)69-35/h2-4,6-7,9-16,24,30-35,37-39,46,54-56,58-60,67H,5,8,17-23,47H2,1H3,(H,48,63)(H,49,62)(H,50,57)(H,51,61)(H,52,64)/t24-,30+,31+,32+,33+,34+,35-,37-,38+,39-,46+/m1/s1
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1.25E+3n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-NLT from Opioid receptor delta 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50073518
PNG
(2-({1-[2-(2-{2-[2-(2-Amino-2-[4-hydroxy-phenyl]-ac...)
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(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C48H61N7O17/c1-25(51-43(64)32(49)19-28-10-14-30(58)15-11-28)42(63)53-33(20-27-7-4-3-5-8-27)44(65)50-22-38(60)52-34(21-29-12-16-31(59)17-13-29)46(67)55-18-6-9-36(55)45(66)54-35(23-56)47(68)70-24-37-41(71-26(2)57)39(61)40(62)48(69)72-37/h3-5,7-8,10-17,25,32-37,39-41,48,56,58-59,61-62,69H,6,9,18-24,49H2,1-2H3,(H,50,65)(H,51,64)(H,52,60)(H,53,63)(H,54,66)/t25-,32+,33+,34+,35+,36+,37-,39-,40-,41-,48+/m1/s1
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1.32E+3n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-NLT from Opioid receptor delta 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50073519
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)N1CC(O)C[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C43H57N9O10/c1-25(48-40(59)32(45)19-27-10-14-29(53)15-11-27)39(58)51-34(20-26-7-3-2-4-8-26)41(60)47-23-37(56)49-35(21-28-12-16-30(54)17-13-28)43(62)52-24-31(55)22-36(52)42(61)50-33(38(46)57)9-5-6-18-44/h2-4,7-8,10-17,25,31-36,53-55H,5-6,9,18-24,44-45H2,1H3,(H2,46,57)(H,47,60)(H,48,59)(H,49,56)(H,50,61)(H,51,58)/t25-,31?,32+,33+,34+,35+,36+/m1/s1
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1.41E+3n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-NLT from Opioid receptor delta 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50073526
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
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)C(=O)O[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C43H61N7O16/c1-19(2)30(39(61)46-22(6)41(63)65-43-34(56)32(54)33(55)42(64)66-43)50-40(62)31(20(3)4)49-38(60)28(18-29(52)53)48-37(59)27(17-23-10-8-7-9-11-23)47-35(57)21(5)45-36(58)26(44)16-24-12-14-25(51)15-13-24/h7-15,19-22,26-28,30-34,42-43,51,54-56,64H,16-18,44H2,1-6H3,(H,45,58)(H,46,61)(H,47,57)(H,48,59)(H,49,60)(H,50,62)(H,52,53)/t21-,22-,26+,27+,28+,30+,31+,32-,33-,34-,42+,43+/m1/s1
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1.59E+3n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50073520
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
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)C(N)=O
Show InChI InChI=1S/C38H54N8O10/c1-19(2)30(37(55)41-21(5)32(40)50)46-38(56)31(20(3)4)45-36(54)28(18-29(48)49)44-35(53)27(17-23-10-8-7-9-11-23)43-33(51)22(6)42-34(52)26(39)16-24-12-14-25(47)15-13-24/h7-15,19-22,26-28,30-31,47H,16-18,39H2,1-6H3,(H2,40,50)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,48,49)/t21-,22-,26+,27+,28+,30+,31+/m1/s1
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1.90E+3n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50073521
PNG
(CHEMBL429717 | N-(1-{1-[1-(3-Acetoxy-4,5,6-trihydr...)
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](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C46H65N7O18/c1-21(2)34(43(65)51-31(19-54)45(67)69-20-32-38(70-24(6)55)36(59)37(60)46(68)71-32)53-44(66)35(22(3)4)52-42(64)30(18-33(57)58)50-41(63)29(17-25-10-8-7-9-11-25)49-39(61)23(5)48-40(62)28(47)16-26-12-14-27(56)15-13-26/h7-15,21-23,28-32,34-38,46,54,56,59-60,68H,16-20,47H2,1-6H3,(H,48,62)(H,49,61)(H,50,63)(H,51,65)(H,52,64)(H,53,66)(H,57,58)/t23-,28+,29+,30+,31-,32-,34+,35+,36-,37-,38-,46+/m1/s1
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1.92E+3n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
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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PubMed
1.98E+3n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50073516
PNG
(CHEMBL268625 | N-(1-{1-[1-(3-Acetoxy-4,5,6-trihydr...)
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)C(=O)O[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1OC(C)=O
Show InChI InChI=1S/C45H63N7O17/c1-20(2)32(41(63)48-23(6)43(65)68-45-36(67-24(7)53)34(57)35(58)44(66)69-45)52-42(64)33(21(3)4)51-40(62)30(19-31(55)56)50-39(61)29(18-25-11-9-8-10-12-25)49-37(59)22(5)47-38(60)28(46)17-26-13-15-27(54)16-14-26/h8-16,20-23,28-30,32-36,44-45,54,57-58,66H,17-19,46H2,1-7H3,(H,47,60)(H,48,63)(H,49,59)(H,50,61)(H,51,62)(H,52,64)(H,55,56)/t22-,23-,28+,29+,30+,32+,33+,34-,35-,36-,44+,45+/m1/s1
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2.83E+3n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50073523
PNG
(2-({1-[2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pr...)
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](C)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C46H59N7O15/c1-24(49-41(61)31(47)19-27-10-14-29(54)15-11-27)40(60)52-32(20-26-7-4-3-5-8-26)42(62)48-22-36(56)51-33(21-28-12-16-30(55)17-13-28)44(64)53-18-6-9-34(53)43(63)50-25(2)45(65)67-23-35-37(57)38(58)39(59)46(66)68-35/h3-5,7-8,10-17,24-25,31-35,37-39,46,54-55,57-59,66H,6,9,18-23,47H2,1-2H3,(H,48,62)(H,49,61)(H,50,63)(H,51,56)(H,52,60)/t24-,25+,31+,32+,33+,34+,35-,37+,38+,39-,46+/m1/s1
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2.85E+3n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-NLT from Opioid receptor delta 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50073525
PNG
(2-({1-[2-(2-{2-[2-(2-Amino-2-[4-hydroxy-phenyl]-ac...)
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](C)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1OC(C)=O
Show InChI InChI=1S/C48H61N7O16/c1-25(51-43(63)33(49)20-29-11-15-31(57)16-12-29)42(62)54-34(21-28-8-5-4-6-9-28)44(64)50-23-38(59)53-35(22-30-13-17-32(58)18-14-30)46(66)55-19-7-10-36(55)45(65)52-26(2)47(67)69-24-37-41(70-27(3)56)39(60)40(61)48(68)71-37/h4-6,8-9,11-18,25-26,33-37,39-41,48,57-58,60-61,68H,7,10,19-24,49H2,1-3H3,(H,50,64)(H,51,63)(H,52,65)(H,53,59)(H,54,62)/t25-,26+,33+,34+,35+,36+,37-,39-,40-,41+,48+/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-NLT from Opioid receptor delta 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair