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PubMed code 1335080

Compile data set for download or QSAR
Found 20 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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009185
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
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(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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PubMed
0.120n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor delta in rats by displacing [3H]-DPDPE


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


(Rattus norvegicus (rat))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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0.240n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor delta in rats by displacing [3H]-DPDPE


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


(Rattus norvegicus (rat))
BDBM50001719
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](Cc1ccc(F)cc1)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/C37H51FN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-6-10-23(38)11-7-22)43-32(51)20(5)42-33(52)25(39)14-21-8-12-24(47)13-9-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25+,26+,27+,30+,31+/m1/s1
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0.510n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor delta in rats by displacing [3H]-DPDPE


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


(Rattus norvegicus (rat))
BDBM50001721
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](Cc1ccc(Cl)cc1)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/C37H51ClN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-6-10-23(38)11-7-22)43-32(51)20(5)42-33(52)25(39)14-21-8-12-24(47)13-9-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25+,26+,27+,30+,31+/m1/s1
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1.58n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor delta in rats by displacing [3H]-DPDPE


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


(Rattus norvegicus (rat))
BDBM50001717
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](Cc1ccc(I)cc1)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/C37H51IN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-6-10-23(38)11-7-22)43-32(51)20(5)42-33(52)25(39)14-21-8-12-24(47)13-9-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25+,26+,27+,30+,31+/m1/s1
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1.62n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor delta in rats by displacing [3H]-DPDPE


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


(Rattus norvegicus (rat))
BDBM50001722
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](Cc1ccc(Br)cc1)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/C37H51BrN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-6-10-23(38)11-7-22)43-32(51)20(5)42-33(52)25(39)14-21-8-12-24(47)13-9-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25+,26+,27+,30+,31+/m1/s1
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2.39n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor delta in rats by displacing [3H]-DPDPE


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


(Rattus norvegicus (rat))
BDBM50001718
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](Cc1ccc(N)cc1)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/C37H53N9O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-6-10-23(38)11-7-22)43-32(51)20(5)42-33(52)25(39)14-21-8-12-24(47)13-9-21/h6-13,18-20,25-27,30-31,47H,14-17,38-39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25+,26+,27+,30+,31+/m1/s1
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33.9n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor delta in rats by displacing [3H]-DPDPE


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


(Rattus norvegicus (rat))
BDBM50001723
PNG
(4-[2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(N)cc1)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/C38H55N9O10/c1-19(2)31(37(56)42-18-29(41)49)47-38(57)32(20(3)4)46-35(54)27(14-15-30(50)51)44-36(55)28(17-23-6-10-24(39)11-7-23)45-33(52)21(5)43-34(53)26(40)16-22-8-12-25(48)13-9-22/h6-13,19-21,26-28,31-32,48H,14-18,39-40H2,1-5H3,(H2,41,49)(H,42,56)(H,43,53)(H,44,55)(H,45,52)(H,46,54)(H,47,57)(H,50,51)/t21-,26+,27+,28+,31+,32+/m1/s1
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48.1n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor delta in rats by displacing [3H]-DPDPE


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


(Rattus norvegicus (rat))
BDBM50001724
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](Cc1ccc(cc1)[N+]([O-])=O)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/C37H51N9O12/c1-18(2)30(36(55)40-17-28(39)48)45-37(56)31(19(3)4)44-35(54)27(16-29(49)50)43-34(53)26(15-22-6-10-23(11-7-22)46(57)58)42-32(51)20(5)41-33(52)25(38)14-21-8-12-24(47)13-9-21/h6-13,18-20,25-27,30-31,47H,14-17,38H2,1-5H3,(H2,39,48)(H,40,55)(H,41,52)(H,42,51)(H,43,53)(H,44,54)(H,45,56)(H,49,50)/t20-,25+,26+,27+,30+,31+/m1/s1
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71.8n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor delta in rats by displacing [3H]-DPDPE


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


(Rattus norvegicus (rat))
BDBM50001720
PNG
(4-[2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)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/C38H53N9O12/c1-19(2)31(37(56)41-18-29(40)49)46-38(57)32(20(3)4)45-35(54)27(14-15-30(50)51)43-36(55)28(17-23-6-10-24(11-7-23)47(58)59)44-33(52)21(5)42-34(53)26(39)16-22-8-12-25(48)13-9-22/h6-13,19-21,26-28,31-32,48H,14-18,39H2,1-5H3,(H2,40,49)(H,41,56)(H,42,53)(H,43,55)(H,44,52)(H,45,54)(H,46,57)(H,50,51)/t21-,26+,27+,28+,31+,32+/m1/s1
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101n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor delta in rats by displacing [3H]-DPDPE


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu 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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272n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu in rats by displacing [3H]-DAGO


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001721
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](Cc1ccc(Cl)cc1)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/C37H51ClN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-6-10-23(38)11-7-22)43-32(51)20(5)42-33(52)25(39)14-21-8-12-24(47)13-9-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25+,26+,27+,30+,31+/m1/s1
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287n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu in rats by displacing [3H]-DAGO


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001718
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](Cc1ccc(N)cc1)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/C37H53N9O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-6-10-23(38)11-7-22)43-32(51)20(5)42-33(52)25(39)14-21-8-12-24(47)13-9-21/h6-13,18-20,25-27,30-31,47H,14-17,38-39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25+,26+,27+,30+,31+/m1/s1
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506n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu in rats by displacing [3H]-DAGO


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001719
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](Cc1ccc(F)cc1)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/C37H51FN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-6-10-23(38)11-7-22)43-32(51)20(5)42-33(52)25(39)14-21-8-12-24(47)13-9-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25+,26+,27+,30+,31+/m1/s1
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554n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu in rats by displacing [3H]-DAGO


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009185
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
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(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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638n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu in rats by displacing [3H]-DAGO


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001717
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](Cc1ccc(I)cc1)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/C37H51IN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-6-10-23(38)11-7-22)43-32(51)20(5)42-33(52)25(39)14-21-8-12-24(47)13-9-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25+,26+,27+,30+,31+/m1/s1
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1.41E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu in rats by displacing [3H]-DAGO


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001720
PNG
(4-[2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)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/C38H53N9O12/c1-19(2)31(37(56)41-18-29(40)49)46-38(57)32(20(3)4)45-35(54)27(14-15-30(50)51)43-36(55)28(17-23-6-10-24(11-7-23)47(58)59)44-33(52)21(5)42-34(53)26(39)16-22-8-12-25(48)13-9-22/h6-13,19-21,26-28,31-32,48H,14-18,39H2,1-5H3,(H2,40,49)(H,41,56)(H,42,53)(H,43,55)(H,44,52)(H,45,54)(H,46,57)(H,50,51)/t21-,26+,27+,28+,31+,32+/m1/s1
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1.43E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu in rats by displacing [3H]-DAGO


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001724
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](Cc1ccc(cc1)[N+]([O-])=O)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/C37H51N9O12/c1-18(2)30(36(55)40-17-28(39)48)45-37(56)31(19(3)4)44-35(54)27(16-29(49)50)43-34(53)26(15-22-6-10-23(11-7-22)46(57)58)42-32(51)20(5)41-33(52)25(38)14-21-8-12-24(47)13-9-21/h6-13,18-20,25-27,30-31,47H,14-17,38H2,1-5H3,(H2,39,48)(H,40,55)(H,41,52)(H,42,51)(H,43,53)(H,44,54)(H,45,56)(H,49,50)/t20-,25+,26+,27+,30+,31+/m1/s1
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2.39E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu in rats by displacing [3H]-DAGO


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001723
PNG
(4-[2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(N)cc1)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/C38H55N9O10/c1-19(2)31(37(56)42-18-29(41)49)47-38(57)32(20(3)4)46-35(54)27(14-15-30(50)51)44-36(55)28(17-23-6-10-24(39)11-7-23)45-33(52)21(5)43-34(53)26(40)16-22-8-12-25(48)13-9-22/h6-13,19-21,26-28,31-32,48H,14-18,39-40H2,1-5H3,(H2,41,49)(H,42,56)(H,43,53)(H,44,55)(H,45,52)(H,46,54)(H,47,57)(H,50,51)/t21-,26+,27+,28+,31+,32+/m1/s1
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2.46E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu in rats by displacing [3H]-DAGO


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001722
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](Cc1ccc(Br)cc1)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/C37H51BrN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-6-10-23(38)11-7-22)43-32(51)20(5)42-33(52)25(39)14-21-8-12-24(47)13-9-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25+,26+,27+,30+,31+/m1/s1
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4.79E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu in rats by displacing [3H]-DAGO


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%