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Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'jaspers' and Initial = 'h'   
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))
BDBM50057009
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC[C@H](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@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H56N8O10/c1-6-21(3)32(38(56)42-20-30(41)49)47-39(57)33(22(4)7-2)46-37(55)29(19-31(50)51)45-36(54)28(18-24-11-9-8-10-12-24)44-34(52)23(5)43-35(53)27(40)17-25-13-15-26(48)16-14-25/h8-16,21-23,27-29,32-33,48H,6-7,17-20,40H2,1-5H3,(H2,41,49)(H,42,56)(H,43,53)(H,44,52)(H,45,54)(H,46,55)(H,47,57)(H,50,51)/t21-,22-,23+,27-,28-,29-,32-,33-/m0/s1
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0.0180n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]- TIPPsi against Opioid receptor delta 1


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057008
PNG
(4-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H60N8O10/c1-6-23(3)34(39(58)45-22-32(44)52)49-40(59)35(24(4)7-2)48-38(57)31(16-17-33(53)54)47-41(60)42(19-18-27-10-8-9-11-28(27)21-42)50-36(55)25(5)46-37(56)30(43)20-26-12-14-29(51)15-13-26/h8-15,23-25,30-31,34-35,51H,6-7,16-22,43H2,1-5H3,(H2,44,52)(H,45,58)(H,46,56)(H,47,60)(H,48,57)(H,49,59)(H,50,55)(H,53,54)/t23-,24-,25+,30-,31-,34-,35-,42+/m0/s1
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0.0280n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]- TIPPsi against Opioid receptor delta 1


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057011
PNG
((S)-3-[((R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H58N8O10/c1-6-22(3)33(38(57)44-21-31(43)51)48-39(58)34(23(4)7-2)47-37(56)30(19-32(52)53)46-40(59)41(17-16-26-10-8-9-11-27(26)20-41)49-35(54)24(5)45-36(55)29(42)18-25-12-14-28(50)15-13-25/h8-15,22-24,29-30,33-34,50H,6-7,16-21,42H2,1-5H3,(H2,43,51)(H,44,57)(H,45,55)(H,46,59)(H,47,56)(H,48,58)(H,49,54)(H,52,53)/t22-,23-,24+,29-,30-,33-,34-,41+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]-DIDII against Opioid receptor delta 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057007
PNG
(4-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H60N8O10/c1-6-23(3)34(39(58)45-22-32(44)52)49-40(59)35(24(4)7-2)48-38(57)31(16-17-33(53)54)47-41(60)42(19-18-27-10-8-9-11-28(27)21-42)50-36(55)25(5)46-37(56)30(43)20-26-12-14-29(51)15-13-26/h8-15,23-25,30-31,34-35,51H,6-7,16-22,43H2,1-5H3,(H2,44,52)(H,45,58)(H,46,56)(H,47,60)(H,48,57)(H,49,59)(H,50,55)(H,53,54)/t23-,24-,25+,30-,31-,34-,35-,42-/m0/s1
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0.0350n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]-DIDII against Opioid receptor delta 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057009
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC[C@H](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@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H56N8O10/c1-6-21(3)32(38(56)42-20-30(41)49)47-39(57)33(22(4)7-2)46-37(55)29(19-31(50)51)45-36(54)28(18-24-11-9-8-10-12-24)44-34(52)23(5)43-35(53)27(40)17-25-13-15-26(48)16-14-25/h8-16,21-23,27-29,32-33,48H,6-7,17-20,40H2,1-5H3,(H2,41,49)(H,42,56)(H,43,53)(H,44,52)(H,45,54)(H,46,55)(H,47,57)(H,50,51)/t21-,22-,23+,27-,28-,29-,32-,33-/m0/s1
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0.0470n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]-naltrindole against Opioid receptor delta 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057009
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC[C@H](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@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H56N8O10/c1-6-21(3)32(38(56)42-20-30(41)49)47-39(57)33(22(4)7-2)46-37(55)29(19-31(50)51)45-36(54)28(18-24-11-9-8-10-12-24)44-34(52)23(5)43-35(53)27(40)17-25-13-15-26(48)16-14-25/h8-16,21-23,27-29,32-33,48H,6-7,17-20,40H2,1-5H3,(H2,41,49)(H,42,56)(H,43,53)(H,44,52)(H,45,54)(H,46,55)(H,47,57)(H,50,51)/t21-,22-,23+,27-,28-,29-,32-,33-/m0/s1
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0.0560n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]-DIDII against Opioid receptor delta 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057011
PNG
((S)-3-[((R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H58N8O10/c1-6-22(3)33(38(57)44-21-31(43)51)48-39(58)34(23(4)7-2)47-37(56)30(19-32(52)53)46-40(59)41(17-16-26-10-8-9-11-27(26)20-41)49-35(54)24(5)45-36(55)29(42)18-25-12-14-28(50)15-13-25/h8-15,22-24,29-30,33-34,50H,6-7,16-21,42H2,1-5H3,(H2,43,51)(H,44,57)(H,45,55)(H,46,59)(H,47,56)(H,48,58)(H,49,54)(H,52,53)/t22-,23-,24+,29-,30-,33-,34-,41+/m0/s1
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0.153n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]- TIPPsi against Opioid receptor delta 1


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057008
PNG
(4-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H60N8O10/c1-6-23(3)34(39(58)45-22-32(44)52)49-40(59)35(24(4)7-2)48-38(57)31(16-17-33(53)54)47-41(60)42(19-18-27-10-8-9-11-28(27)21-42)50-36(55)25(5)46-37(56)30(43)20-26-12-14-29(51)15-13-26/h8-15,23-25,30-31,34-35,51H,6-7,16-22,43H2,1-5H3,(H2,44,52)(H,45,58)(H,46,56)(H,47,60)(H,48,57)(H,49,59)(H,50,55)(H,53,54)/t23-,24-,25+,30-,31-,34-,35-,42+/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]-DIDII against Opioid receptor delta 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50068647
PNG
(2-[(2R,3R)-2-({2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES C[C@@H]([C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C38H40N4O6/c1-24(27-12-6-3-7-13-27)34(36(45)40-32(38(47)48)21-25-10-4-2-5-11-25)41-35(44)33-22-28-14-8-9-15-29(28)23-42(33)37(46)31(39)20-26-16-18-30(43)19-17-26/h2-19,24,31-34,43H,20-23,39H2,1H3,(H,40,45)(H,41,44)(H,47,48)/t24-,31+,32+,33+,34-/m1/s1
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0.380n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057007
PNG
(4-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H60N8O10/c1-6-23(3)34(39(58)45-22-32(44)52)49-40(59)35(24(4)7-2)48-38(57)31(16-17-33(53)54)47-41(60)42(19-18-27-10-8-9-11-28(27)21-42)50-36(55)25(5)46-37(56)30(43)20-26-12-14-29(51)15-13-26/h8-15,23-25,30-31,34-35,51H,6-7,16-22,43H2,1-5H3,(H2,44,52)(H,45,58)(H,46,56)(H,47,60)(H,48,57)(H,49,59)(H,50,55)(H,53,54)/t23-,24-,25+,30-,31-,34-,35-,42-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]- TIPPsi against Opioid receptor delta 1


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057010
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC[C@H](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@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24+,28-,29-,30-,33-,34-/m0/s1
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0.385n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]-DIDII against Opioid receptor delta 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057012
PNG
((S)-3-[((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H58N8O10/c1-6-22(3)33(38(57)44-21-31(43)51)48-39(58)34(23(4)7-2)47-37(56)30(19-32(52)53)46-40(59)41(17-16-26-10-8-9-11-27(26)20-41)49-35(54)24(5)45-36(55)29(42)18-25-12-14-28(50)15-13-25/h8-15,22-24,29-30,33-34,50H,6-7,16-21,42H2,1-5H3,(H2,43,51)(H,44,57)(H,45,55)(H,46,59)(H,47,56)(H,48,58)(H,49,54)(H,52,53)/t22-,23-,24+,29-,30-,33-,34-,41-/m0/s1
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0.435n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]-DIDII against Opioid receptor delta 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50068659
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4...)
Show SMILES C[C@H]([C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(37(47)41-32(35(40)45)21-25-10-4-2-5-11-25)42-36(46)33-22-28-14-8-9-15-29(28)23-43(33)38(48)31(39)20-26-16-18-30(44)19-17-26/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,47)(H,42,46)/t24-,31-,32-,33-,34+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057007
PNG
(4-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H60N8O10/c1-6-23(3)34(39(58)45-22-32(44)52)49-40(59)35(24(4)7-2)48-38(57)31(16-17-33(53)54)47-41(60)42(19-18-27-10-8-9-11-28(27)21-42)50-36(55)25(5)46-37(56)30(43)20-26-12-14-29(51)15-13-26/h8-15,23-25,30-31,34-35,51H,6-7,16-22,43H2,1-5H3,(H2,44,52)(H,45,58)(H,46,56)(H,47,60)(H,48,57)(H,49,59)(H,50,55)(H,53,54)/t23-,24-,25+,30-,31-,34-,35-,42-/m0/s1
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0.515n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]-naltrindole against Opioid receptor delta 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50068652
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4...)
Show SMILES C[C@@H]1[C@@H](N(Cc2ccccc12)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C38H40N4O6/c1-24-30-15-9-8-14-28(30)23-42(37(46)31(39)20-27-16-18-29(43)19-17-27)34(24)36(45)40-32(21-25-10-4-2-5-11-25)35(44)41-33(38(47)48)22-26-12-6-3-7-13-26/h2-19,24,31-34,43H,20-23,39H2,1H3,(H,40,45)(H,41,44)(H,47,48)/t24-,31-,32-,33-,34+/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057010
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC[C@H](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@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24+,28-,29-,30-,33-,34-/m0/s1
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0.535n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]- TIPPsi against Opioid receptor delta 1


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50455190
PNG
(CHEMBL2371020)
Show SMILES C[C@@H]([C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(37(47)41-32(35(40)45)21-25-10-4-2-5-11-25)42-36(46)33-22-28-14-8-9-15-29(28)23-43(33)38(48)31(39)20-26-16-18-30(44)19-17-26/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,47)(H,42,46)/t24-,31+,32+,33+,34+/m1/s1
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0.660n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057008
PNG
(4-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H60N8O10/c1-6-23(3)34(39(58)45-22-32(44)52)49-40(59)35(24(4)7-2)48-38(57)31(16-17-33(53)54)47-41(60)42(19-18-27-10-8-9-11-28(27)21-42)50-36(55)25(5)46-37(56)30(43)20-26-12-14-29(51)15-13-26/h8-15,23-25,30-31,34-35,51H,6-7,16-22,43H2,1-5H3,(H2,44,52)(H,45,58)(H,46,56)(H,47,60)(H,48,57)(H,49,59)(H,50,55)(H,53,54)/t23-,24-,25+,30-,31-,34-,35-,42+/m0/s1
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0.745n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]-naltrindole against Opioid receptor delta 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50068665
PNG
(2-[(2S,3S)-2-({2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES C[C@H]([C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C38H40N4O6/c1-24(27-12-6-3-7-13-27)34(36(45)40-32(38(47)48)21-25-10-4-2-5-11-25)41-35(44)33-22-28-14-8-9-15-29(28)23-42(33)37(46)31(39)20-26-16-18-30(43)19-17-26/h2-19,24,31-34,43H,20-23,39H2,1H3,(H,40,45)(H,41,44)(H,47,48)/t24-,31-,32-,33-,34-/m0/s1
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0.760n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50041144
PNG
((S)-2-Amino-N-((5S,8S)-5-benzyl-4,7,13,16-tetraoxo...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C37H39N5O5/c38-30(19-26-15-17-29(43)18-16-26)37(47)42-23-28-14-8-7-13-27(28)22-33(42)36(46)41-32(21-25-11-5-2-6-12-25)35(45)40-31(34(39)44)20-24-9-3-1-4-10-24/h1-18,30-33,43H,19-23,38H2,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32-,33-/m0/s1
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0.830n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057011
PNG
((S)-3-[((R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H58N8O10/c1-6-22(3)33(38(57)44-21-31(43)51)48-39(58)34(23(4)7-2)47-37(56)30(19-32(52)53)46-40(59)41(17-16-26-10-8-9-11-27(26)20-41)49-35(54)24(5)45-36(55)29(42)18-25-12-14-28(50)15-13-25/h8-15,22-24,29-30,33-34,50H,6-7,16-21,42H2,1-5H3,(H2,43,51)(H,44,57)(H,45,55)(H,46,59)(H,47,56)(H,48,58)(H,49,54)(H,52,53)/t22-,23-,24+,29-,30-,33-,34-,41+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]-naltrindole against Opioid receptor delta 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50068648
PNG
(2-[(R)-2-Amino-3-(4-hydroxy-phenyl)-butyryl]-1,2,3...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(O)cc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-16-18-30(44)19-17-27)34(39)38(48)43-23-29-15-9-8-14-28(29)22-33(43)37(47)42-32(21-26-12-6-3-7-13-26)36(46)41-31(35(40)45)20-25-10-4-2-5-11-25/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,46)(H,42,47)/t24-,31+,32+,33+,34+/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50455189
PNG
(CHEMBL2371015)
Show SMILES C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(35(40)45)42-36(46)32(21-25-10-4-2-5-11-25)41-37(47)33-22-28-14-8-9-15-29(28)23-43(33)38(48)31(39)20-26-16-18-30(44)19-17-26/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,47)(H,42,46)/t24-,31-,32-,33-,34-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50455192
PNG
(CHEMBL2371019)
Show SMILES C[C@@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(35(40)45)42-36(46)32(21-25-10-4-2-5-11-25)41-37(47)33-22-28-14-8-9-15-29(28)23-43(33)38(48)31(39)20-26-16-18-30(44)19-17-26/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,47)(H,42,46)/t24-,31+,32+,33+,34+/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057012
PNG
((S)-3-[((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H58N8O10/c1-6-22(3)33(38(57)44-21-31(43)51)48-39(58)34(23(4)7-2)47-37(56)30(19-32(52)53)46-40(59)41(17-16-26-10-8-9-11-27(26)20-41)49-35(54)24(5)45-36(55)29(42)18-25-12-14-28(50)15-13-25/h8-15,22-24,29-30,33-34,50H,6-7,16-21,42H2,1-5H3,(H2,43,51)(H,44,57)(H,45,55)(H,46,59)(H,47,56)(H,48,58)(H,49,54)(H,52,53)/t22-,23-,24+,29-,30-,33-,34-,41-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]- TIPPsi against Opioid receptor delta 1


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50068663
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4...)
Show SMILES C[C@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(O)cc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-16-18-30(44)19-17-27)34(39)38(48)43-23-29-15-9-8-14-28(29)22-33(43)37(47)42-32(21-26-12-6-3-7-13-26)36(46)41-31(35(40)45)20-25-10-4-2-5-11-25/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,46)(H,42,47)/t24-,31-,32-,33-,34-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50068657
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4...)
Show SMILES C[C@H]([C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(37(47)41-32(35(40)45)21-25-10-4-2-5-11-25)42-36(46)33-22-28-14-8-9-15-29(28)23-43(33)38(48)31(39)20-26-16-18-30(44)19-17-26/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,47)(H,42,46)/t24-,31-,32-,33-,34-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057012
PNG
((S)-3-[((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H58N8O10/c1-6-22(3)33(38(57)44-21-31(43)51)48-39(58)34(23(4)7-2)47-37(56)30(19-32(52)53)46-40(59)41(17-16-26-10-8-9-11-27(26)20-41)49-35(54)24(5)45-36(55)29(42)18-25-12-14-28(50)15-13-25/h8-15,22-24,29-30,33-34,50H,6-7,16-21,42H2,1-5H3,(H2,43,51)(H,44,57)(H,45,55)(H,46,59)(H,47,56)(H,48,58)(H,49,54)(H,52,53)/t22-,23-,24+,29-,30-,33-,34-,41-/m0/s1
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4n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]-naltrindole against Opioid receptor delta 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50068661
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4...)
Show SMILES C[C@@H]([C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(35(40)45)42-36(46)32(21-25-10-4-2-5-11-25)41-37(47)33-22-28-14-8-9-15-29(28)23-43(33)38(48)31(39)20-26-16-18-30(44)19-17-26/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,47)(H,42,46)/t24-,31+,32+,33+,34-/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057010
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC[C@H](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@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24+,28-,29-,30-,33-,34-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]-naltrindole against Opioid receptor delta 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50068664
PNG
(2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C37H38N4O6/c38-30(19-26-15-17-29(42)18-16-26)36(45)41-23-28-14-8-7-13-27(28)22-33(41)35(44)39-31(20-24-9-3-1-4-10-24)34(43)40-32(37(46)47)21-25-11-5-2-6-12-25/h1-18,30-33,42H,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33-/m0/s1
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6.80n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50068656
PNG
(2-[(2S,3S)-2-Amino-3-(4-hydroxy-phenyl)-butyryl]-1...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C37H39N5O5/c38-30(19-26-15-17-29(43)18-16-26)37(47)42-23-28-14-8-7-13-27(28)22-33(42)36(46)41-32(21-25-11-5-2-6-12-25)35(45)40-31(34(39)44)20-24-9-3-1-4-10-24/h1-18,30-33,43H,19-23,38H2,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32+,33-/m0/s1
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7.80n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50455188
PNG
(CHEMBL2371025)
Show SMILES C[C@H]([C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(35(40)45)42-36(46)32(21-25-10-4-2-5-11-25)41-37(47)33-22-28-14-8-9-15-29(28)23-43(33)38(48)31(39)20-26-16-18-30(44)19-17-26/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,47)(H,42,46)/t24-,31-,32-,33-,34+/m0/s1
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11n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50455191
PNG
(CHEMBL2371014)
Show SMILES C[C@@H]([C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(O)cc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-16-18-30(44)19-17-27)34(39)38(48)43-23-29-15-9-8-14-28(29)22-33(43)37(47)42-32(21-26-12-6-3-7-13-26)36(46)41-31(35(40)45)20-25-10-4-2-5-11-25/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,46)(H,42,47)/t24-,31+,32+,33+,34-/m1/s1
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28n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50455189
PNG
(CHEMBL2371015)
Show SMILES C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(35(40)45)42-36(46)32(21-25-10-4-2-5-11-25)41-37(47)33-22-28-14-8-9-15-29(28)23-43(33)38(48)31(39)20-26-16-18-30(44)19-17-26/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,47)(H,42,46)/t24-,31-,32-,33-,34-/m0/s1
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47n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 on rat forebrain membranes by [3H]sufentanil displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50068661
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4...)
Show SMILES C[C@@H]([C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(35(40)45)42-36(46)32(21-25-10-4-2-5-11-25)41-37(47)33-22-28-14-8-9-15-29(28)23-43(33)38(48)31(39)20-26-16-18-30(44)19-17-26/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,47)(H,42,46)/t24-,31+,32+,33+,34-/m1/s1
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47n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 on rat forebrain membranes by [3H]sufentanil displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50455194
PNG
(CHEMBL2370013)
Show SMILES C[C@@H]([C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(37(47)41-32(35(40)45)21-25-10-4-2-5-11-25)42-36(46)33-22-28-14-8-9-15-29(28)23-43(33)38(48)31(39)20-26-16-18-30(44)19-17-26/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,47)(H,42,46)/t24-,31+,32+,33+,34-/m1/s1
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74n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50455193
PNG
(CHEMBL2371013)
Show SMILES C[C@H]([C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(O)cc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-16-18-30(44)19-17-27)34(39)38(48)43-23-29-15-9-8-14-28(29)22-33(43)37(47)42-32(21-26-12-6-3-7-13-26)36(46)41-31(35(40)45)20-25-10-4-2-5-11-25/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,46)(H,42,47)/t24-,31-,32-,33-,34+/m0/s1
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113n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50068657
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4...)
Show SMILES C[C@H]([C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(37(47)41-32(35(40)45)21-25-10-4-2-5-11-25)42-36(46)33-22-28-14-8-9-15-29(28)23-43(33)38(48)31(39)20-26-16-18-30(44)19-17-26/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,47)(H,42,46)/t24-,31-,32-,33-,34-/m0/s1
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149n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 on rat forebrain membranes by [3H]sufentanil displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50455190
PNG
(CHEMBL2371020)
Show SMILES C[C@@H]([C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(37(47)41-32(35(40)45)21-25-10-4-2-5-11-25)42-36(46)33-22-28-14-8-9-15-29(28)23-43(33)38(48)31(39)20-26-16-18-30(44)19-17-26/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,47)(H,42,46)/t24-,31+,32+,33+,34+/m1/s1
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149n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 on rat forebrain membranes by [3H]sufentanil displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50455192
PNG
(CHEMBL2371019)
Show SMILES C[C@@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(35(40)45)42-36(46)32(21-25-10-4-2-5-11-25)41-37(47)33-22-28-14-8-9-15-29(28)23-43(33)38(48)31(39)20-26-16-18-30(44)19-17-26/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,47)(H,42,46)/t24-,31+,32+,33+,34+/m1/s1
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253n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 on guinea pig cerebellum membranes by [3H]U-69593 displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50041144
PNG
((S)-2-Amino-N-((5S,8S)-5-benzyl-4,7,13,16-tetraoxo...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C37H39N5O5/c38-30(19-26-15-17-29(43)18-16-26)37(47)42-23-28-14-8-7-13-27(28)22-33(42)36(46)41-32(21-25-11-5-2-6-12-25)35(45)40-31(34(39)44)20-24-9-3-1-4-10-24/h1-18,30-33,43H,19-23,38H2,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32-,33-/m0/s1
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284n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 on rat forebrain membranes by [3H]sufentanil displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50068656
PNG
(2-[(2S,3S)-2-Amino-3-(4-hydroxy-phenyl)-butyryl]-1...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C37H39N5O5/c38-30(19-26-15-17-29(43)18-16-26)37(47)42-23-28-14-8-7-13-27(28)22-33(42)36(46)41-32(21-25-11-5-2-6-12-25)35(45)40-31(34(39)44)20-24-9-3-1-4-10-24/h1-18,30-33,43H,19-23,38H2,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32+,33-/m0/s1
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352n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 on rat forebrain membranes by [3H]sufentanil displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50455194
PNG
(CHEMBL2370013)
Show SMILES C[C@@H]([C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-12-6-3-7-13-27)34(37(47)41-32(35(40)45)21-25-10-4-2-5-11-25)42-36(46)33-22-28-14-8-9-15-29(28)23-43(33)38(48)31(39)20-26-16-18-30(44)19-17-26/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,47)(H,42,46)/t24-,31+,32+,33+,34-/m1/s1
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442n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 on guinea pig cerebellum membranes by [3H]U-69593 displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50068646
PNG
(2-[2-({(R)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...)
Show SMILES C[C@H]1[C@H](N(Cc2ccccc12)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C38H40N4O6/c1-24-30-15-9-8-14-28(30)23-42(37(46)31(39)20-27-16-18-29(43)19-17-27)34(24)36(45)40-32(21-25-10-4-2-5-11-25)35(44)41-33(38(47)48)22-26-12-6-3-7-13-26/h2-19,24,31-34,43H,20-23,39H2,1H3,(H,40,45)(H,41,44)(H,47,48)/t24-,31+,32+,33+,34+/m1/s1
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474n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50068663
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4...)
Show SMILES C[C@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(O)cc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-16-18-30(44)19-17-27)34(39)38(48)43-23-29-15-9-8-14-28(29)22-33(43)37(47)42-32(21-26-12-6-3-7-13-26)36(46)41-31(35(40)45)20-25-10-4-2-5-11-25/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,46)(H,42,47)/t24-,31-,32-,33-,34-/m0/s1
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498n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 on rat forebrain membranes by [3H]sufentanil displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50068655
PNG
(2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-butyryl]-1,2,3...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C37H39N5O5/c38-30(19-26-15-17-29(43)18-16-26)37(47)42-23-28-14-8-7-13-27(28)22-33(42)36(46)41-32(21-25-11-5-2-6-12-25)35(45)40-31(34(39)44)20-24-9-3-1-4-10-24/h1-18,30-33,43H,19-23,38H2,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32-,33+/m0/s1
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519n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50068651
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4...)
Show SMILES C[C@H]1[C@@H](N(Cc2ccccc12)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C38H40N4O6/c1-24-30-15-9-8-14-28(30)23-42(37(46)31(39)20-27-16-18-29(43)19-17-27)34(24)36(45)40-32(21-25-10-4-2-5-11-25)35(44)41-33(38(47)48)22-26-12-6-3-7-13-26/h2-19,24,31-34,43H,20-23,39H2,1H3,(H,40,45)(H,41,44)(H,47,48)/t24-,31+,32+,33+,34-/m1/s1
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543n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50057011
PNG
((S)-3-[((R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H58N8O10/c1-6-22(3)33(38(57)44-21-31(43)51)48-39(58)34(23(4)7-2)47-37(56)30(19-32(52)53)46-40(59)41(17-16-26-10-8-9-11-27(26)20-41)49-35(54)24(5)45-36(55)29(42)18-25-12-14-28(50)15-13-25/h8-15,22-24,29-30,33-34,50H,6-7,16-21,42H2,1-5H3,(H2,43,51)(H,44,57)(H,45,55)(H,46,59)(H,47,56)(H,48,58)(H,49,54)(H,52,53)/t22-,23-,24+,29-,30-,33-,34-,41+/m0/s1
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660n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]- DAGO against Opioid receptor mu 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50057007
PNG
(4-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H60N8O10/c1-6-23(3)34(39(58)45-22-32(44)52)49-40(59)35(24(4)7-2)48-38(57)31(16-17-33(53)54)47-41(60)42(19-18-27-10-8-9-11-28(27)21-42)50-36(55)25(5)46-37(56)30(43)20-26-12-14-29(51)15-13-26/h8-15,23-25,30-31,34-35,51H,6-7,16-22,43H2,1-5H3,(H2,44,52)(H,45,58)(H,46,56)(H,47,60)(H,48,57)(H,49,59)(H,50,55)(H,53,54)/t23-,24-,25+,30-,31-,34-,35-,42-/m0/s1
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731n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]- DAGO against Opioid receptor mu 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
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