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Compile Data Set for Download or QSAR

Found 1153 hits with Last Name = 'tóth' and Initial = 'g'   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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0.00240n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain after 45 mins


J Med Chem 51: 173-7 (2008)


Article DOI: 10.1021/jm7010222
BindingDB Entry DOI: 10.7270/Q2ZS2XBN
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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0.00950n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain after 45 mins


J Med Chem 51: 173-7 (2008)


Article DOI: 10.1021/jm7010222
BindingDB Entry DOI: 10.7270/Q2ZS2XBN
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50166065
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C36H42N6O5/c1-21-15-25(43)16-22(2)27(21)19-28(37)36(47)42-14-8-13-32(42)35(46)41-31(17-23-9-4-3-5-10-23)34(45)40-30(33(38)44)18-24-20-39-29-12-7-6-11-26(24)29/h3-7,9-12,15-16,20,28,30-32,39,43H,8,13-14,17-19,37H2,1-2H3,(H2,38,44)(H,40,45)(H,41,46)/t28-,30-,31-,32-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to rat brain mu opioid receptor


J Med Chem 48: 3239-50 (2005)


Article DOI: 10.1021/jm049157i
BindingDB Entry DOI: 10.7270/Q28P601Q
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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0.0180n/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50354644
PNG
(CHEMBL1834218)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1[C@@H](C)c2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-14-9-19(33)10-15(2)21(14)11-22(28)26(36)30-17(4)25(35)31-24-16(3)20-8-6-5-7-18(20)12-32(27(24)37)13-23(29)34/h5-10,16-17,22,24,33H,11-13,28H2,1-4H3,(H2,29,34)(H,30,36)(H,31,35)/t16-,17+,22-,24-/m0/s1
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0.0250n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting


J Med Chem 54: 6538-47 (2011)


Article DOI: 10.1021/jm2003574
BindingDB Entry DOI: 10.7270/Q24Q7VC1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50354647
PNG
(CHEMBL1834244)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1[C@@H](C)c2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-14-9-19(33)10-15(2)21(14)11-22(28)26(36)30-17(4)25(35)31-24-16(3)20-8-6-5-7-18(20)12-32(27(24)37)13-23(29)34/h5-10,16-17,22,24,33H,11-13,28H2,1-4H3,(H2,29,34)(H,30,36)(H,31,35)/t16-,17+,22-,24+/m0/s1
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0.0250n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting


J Med Chem 54: 6538-47 (2011)


Article DOI: 10.1021/jm2003574
BindingDB Entry DOI: 10.7270/Q24Q7VC1
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50229425
PNG
(CHEMBL401142 | Tyr-(R)-spiro-Aba-Gly-Phe-NH2)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@]11Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O
Show InChI InChI=1S/C33H37N5O5/c34-27(17-23-11-13-26(39)14-12-23)31(42)38-16-6-15-33(38)19-24-9-4-5-10-25(24)20-37(32(33)43)21-29(40)36-28(30(35)41)18-22-7-2-1-3-8-22/h1-5,7-14,27-28,39H,6,15-21,34H2,(H2,35,41)(H,36,40)/t27-,28-,33+/m0/s1
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0.0293n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain after 45 mins


J Med Chem 51: 173-7 (2008)


Article DOI: 10.1021/jm7010222
BindingDB Entry DOI: 10.7270/Q2ZS2XBN
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50354650
PNG
(CHEMBL1834247)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C26H33N5O5/c1-14-8-19(32)9-15(2)20(14)11-21(27)25(35)29-16(3)24(34)30-22-10-17-6-4-5-7-18(17)12-31(26(22)36)13-23(28)33/h4-9,16,21-22,32H,10-13,27H2,1-3H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,21+,22+/m1/s1
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0.0470n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting


J Med Chem 54: 6538-47 (2011)


Article DOI: 10.1021/jm2003574
BindingDB Entry DOI: 10.7270/Q24Q7VC1
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50339236
PNG
((1S,2R)-N-((2S)-1-(1-amino-3-(4-fluorophenyl)-1-ox...)
Show SMILES Cc1cc(CC(N)C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(Cc2ccc(F)cc2)C(N)=O)cc(C)c1O |r|
Show InChI InChI=1S/C36H44FN5O5/c1-21-16-25(17-22(2)32(21)43)18-28(38)35(46)40-29-11-7-6-10-27(29)34(45)42-31(20-23-8-4-3-5-9-23)36(47)41-30(33(39)44)19-24-12-14-26(37)15-13-24/h3-5,8-9,12-17,27-31,43H,6-7,10-11,18-20,38H2,1-2H3,(H2,39,44)(H,40,46)(H,41,47)(H,42,45)/t27-,28?,29+,30?,31-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane homogenate by liquid scintillation counting


J Med Chem 54: 1462-72 (2011)


Article DOI: 10.1021/jm101515v
BindingDB Entry DOI: 10.7270/Q26T0MX9
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86261
PNG
(14-methoxymetopon | CAS_131575-03-6 | NSC_125489)
Show SMILES COC12CCC(=O)C3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:1:2:18.17.15:13.12.11,THB:3:2:18.17.15:13.12.11|
Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3
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0.150n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Neurosci 18: 290-5 (2003)


Article DOI: 10.1046/j.1460-9568.2003.02744.x
BindingDB Entry DOI: 10.7270/Q2P55M37
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))
BDBM50087064
PNG
(4-(2-{2-[(2-Amino-6-hydroxy-1,2,3,4-tetrahydro-nap...)
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@@]1(N)CCc2cc(O)ccc2C1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H60N8O10/c1-6-23(3)34(39(58)45-22-32(43)52)50-40(59)35(24(4)7-2)49-37(56)30(15-16-33(53)54)47-38(57)31(19-26-11-9-8-10-12-26)48-36(55)25(5)46-41(60)42(44)18-17-27-20-29(51)14-13-28(27)21-42/h8-14,20,23-25,30-31,34-35,51H,6-7,15-19,21-22,44H2,1-5H3,(H2,43,52)(H,45,58)(H,46,60)(H,47,57)(H,48,55)(H,49,56)(H,50,59)(H,53,54)/t23-,24-,25-,30-,31-,34-,35-,42+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor delta 1 of rat brain using [3H]-pClPhe4-DPDPE as radioligand.


J Med Chem 43: 1359-66 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3S0S
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149384
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H41N5O5/c1-21-16-25(40)17-22(2)26(21)20-27(35)34(44)39-15-9-14-30(39)33(43)38-29(19-24-12-7-4-8-13-24)32(42)37-28(31(36)41)18-23-10-5-3-6-11-23/h3-8,10-13,16-17,27-30,40H,9,14-15,18-20,35H2,1-2H3,(H2,36,41)(H,37,42)(H,38,43)/t27-,28-,29-,30-/m0/s1
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0.210n/an/an/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to rat brain mu opioid receptor


J Med Chem 48: 3239-50 (2005)


Article DOI: 10.1021/jm049157i
BindingDB Entry DOI: 10.7270/Q28P601Q
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021325
PNG
(4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2|
Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1
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0.280n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Peptides 19: 1091-8 (1998)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2B27STB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50354649
PNG
(CHEMBL1834246)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@]1(C)Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)11-22(28)25(36)30-17(3)24(35)31-27(4)12-18-7-5-6-8-19(18)13-32(26(27)37)14-23(29)34/h5-10,17,22,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,36)(H,31,35)/t17-,22+,27-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting


J Med Chem 54: 6538-47 (2011)


Article DOI: 10.1021/jm2003574
BindingDB Entry DOI: 10.7270/Q24Q7VC1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50060070
PNG
((S)-2-Amino-N-{(R)-1-[(S)-1-((S)-1-carbamoyl-2-phe...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H35N5O5/c1-19(33-29(39)24(31)16-22-12-14-23(36)15-13-22)28(38)35-26(18-21-10-6-3-7-11-21)30(40)34-25(27(32)37)17-20-8-4-2-5-9-20/h2-15,19,24-26,36H,16-18,31H2,1H3,(H2,32,37)(H,33,39)(H,34,40)(H,35,38)/t19-,24+,25+,26+/m1/s1
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0.310n/an/an/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to rat brain mu opioid receptor


J Med Chem 48: 3239-50 (2005)


Article DOI: 10.1021/jm049157i
BindingDB Entry DOI: 10.7270/Q28P601Q
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50354651
PNG
(CHEMBL1834248)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C26H33N5O5/c1-14-8-19(32)9-15(2)20(14)11-21(27)25(35)29-16(3)24(34)30-22-10-17-6-4-5-7-18(17)12-31(26(22)36)13-23(28)33/h4-9,16,21-22,32H,10-13,27H2,1-3H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,21+,22-/m1/s1
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0.330n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting


J Med Chem 54: 6538-47 (2011)


Article DOI: 10.1021/jm2003574
BindingDB Entry DOI: 10.7270/Q24Q7VC1
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50087064
PNG
(4-(2-{2-[(2-Amino-6-hydroxy-1,2,3,4-tetrahydro-nap...)
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@@]1(N)CCc2cc(O)ccc2C1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H60N8O10/c1-6-23(3)34(39(58)45-22-32(43)52)50-40(59)35(24(4)7-2)49-37(56)30(15-16-33(53)54)47-38(57)31(19-26-11-9-8-10-12-26)48-36(55)25(5)46-41(60)42(44)18-17-27-20-29(51)14-13-28(27)21-42/h8-14,20,23-25,30-31,34-35,51H,6-7,15-19,21-22,44H2,1-5H3,(H2,43,52)(H,45,58)(H,46,60)(H,47,57)(H,48,55)(H,49,56)(H,50,59)(H,53,54)/t23-,24-,25-,30-,31-,34-,35-,42+/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinities against delta 2 opioid receptor of rat brain using [3H]Ile5,6-deltorphin II as radioligand.


J Med Chem 43: 1359-66 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3S0S
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50166054
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O)c1ccccc1
Show InChI InChI=1S/C35H43N5O5/c1-21-17-26(41)18-22(2)27(21)20-28(36)35(45)40-16-10-15-30(40)34(44)38-29(19-24-11-6-4-7-12-24)33(43)39-31(32(37)42)23(3)25-13-8-5-9-14-25/h4-9,11-14,17-18,23,28-31,41H,10,15-16,19-20,36H2,1-3H3,(H2,37,42)(H,38,44)(H,39,43)/t23-,28-,29-,30-,31-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to rat brain mu opioid receptor


J Med Chem 48: 3239-50 (2005)


Article DOI: 10.1021/jm049157i
BindingDB Entry DOI: 10.7270/Q28P601Q
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50229426
PNG
(CHEMBL399796 | Tyr-(S)-Aba-Gly-Phe-NH2)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O
Show InChI InChI=1S/C30H33N5O5/c31-24(14-20-10-12-23(36)13-11-20)29(39)34-26-16-21-8-4-5-9-22(21)17-35(30(26)40)18-27(37)33-25(28(32)38)15-19-6-2-1-3-7-19/h1-13,24-26,36H,14-18,31H2,(H2,32,38)(H,33,37)(H,34,39)/t24-,25-,26-/m0/s1
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0.373n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain after 45 mins


J Med Chem 51: 173-7 (2008)


Article DOI: 10.1021/jm7010222
BindingDB Entry DOI: 10.7270/Q2ZS2XBN
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
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50003571
PNG
((-)-3-Hydroxy-N-methylmorphinan hydrochloride (lev...)
Show SMILES CN1CCC23CCCCC2C1Cc1ccc(O)cc31 |TLB:0:1:9:18.12.11,THB:17:18:9:1.3.2|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3
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0.380n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Peptides 19: 1091-8 (1998)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2B27STB
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))
BDBM50087065
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
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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0.390n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinities against delta 2 opioid receptor of rat brain using [3H]Ile5,6-deltorphin II as radioligand.


J Med Chem 43: 1359-66 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3S0S
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50354645
PNG
(CHEMBL1834219)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1[C@H](C)c2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-14-9-19(33)10-15(2)21(14)11-22(28)26(36)30-17(4)25(35)31-24-16(3)20-8-6-5-7-18(20)12-32(27(24)37)13-23(29)34/h5-10,16-17,22,24,33H,11-13,28H2,1-4H3,(H2,29,34)(H,30,36)(H,31,35)/t16-,17-,22+,24-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting


J Med Chem 54: 6538-47 (2011)


Article DOI: 10.1021/jm2003574
BindingDB Entry DOI: 10.7270/Q24Q7VC1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021325
PNG
(4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2|
Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Eur J Pharmacol 383: 209-14 (1999)


Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50139018
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES C[C@H]([C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C35H40N6O5/c1-21(23-8-3-2-4-9-23)31(32(37)43)40-33(44)29(19-24-20-38-28-11-6-5-10-26(24)28)39-34(45)30-12-7-17-41(30)35(46)27(36)18-22-13-15-25(42)16-14-22/h2-6,8-11,13-16,20-21,27,29-31,38,42H,7,12,17-19,36H2,1H3,(H2,37,43)(H,39,45)(H,40,44)/t21-,27-,29-,30-,31-/m0/s1
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0.470n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-endomorphin-2 from Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 735-43 (2004)


Article DOI: 10.1021/jm0310028
BindingDB Entry DOI: 10.7270/Q2J965TS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50339240
PNG
((1S,2R)-N-((S)-1-((2S,3S)-1-amino-1-oxo-3-phenylbu...)
Show SMILES C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)C(N)Cc1cc(C)c(O)c(C)c1)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C37H47N5O5/c1-22-18-26(19-23(2)33(22)43)20-29(38)36(46)40-30-17-11-10-16-28(30)35(45)41-31(21-25-12-6-4-7-13-25)37(47)42-32(34(39)44)24(3)27-14-8-5-9-15-27/h4-9,12-15,18-19,24,28-32,43H,10-11,16-17,20-21,38H2,1-3H3,(H2,39,44)(H,40,46)(H,41,45)(H,42,47)/t24-,28-,29?,30+,31-,32-/m0/s1
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0.470n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane homogenate by liquid scintillation counting


J Med Chem 54: 1462-72 (2011)


Article DOI: 10.1021/jm101515v
BindingDB Entry DOI: 10.7270/Q26T0MX9
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50202498
PNG
(CHEMBL219482 | H-Dmt-Tic-(2S,3S)-beta-MeCha-Phe-OH)
Show SMILES C[C@H]([C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1 |r|
Show InChI InChI=1S/C40H50N4O6/c1-24-18-31(45)19-25(2)32(24)22-33(41)39(48)44-23-30-17-11-10-16-29(30)21-35(44)37(46)43-36(26(3)28-14-8-5-9-15-28)38(47)42-34(40(49)50)20-27-12-6-4-7-13-27/h4,6-7,10-13,16-19,26,28,33-36,45H,5,8-9,14-15,20-23,41H2,1-3H3,(H,42,47)(H,43,46)(H,49,50)/t26-,33-,34-,35?,36-/m0/s1
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0.480n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6-deltorphin from delta opioid receptor in Wistar rat brain membrane


J Med Chem 50: 328-33 (2007)


Article DOI: 10.1021/jm060721u
BindingDB Entry DOI: 10.7270/Q2SF2VVJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86261
PNG
(14-methoxymetopon | CAS_131575-03-6 | NSC_125489)
Show SMILES COC12CCC(=O)C3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:1:2:18.17.15:13.12.11,THB:3:2:18.17.15:13.12.11|
Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3
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0.480n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Neurosci 18: 290-5 (2003)


Article DOI: 10.1046/j.1460-9568.2003.02744.x
BindingDB Entry DOI: 10.7270/Q2P55M37
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50166049
PNG
((1S,2R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C34H41N5O5/c35-27(19-24-15-17-25(40)18-16-24)33(43)37-28-14-8-7-13-26(28)32(42)39-30(21-23-11-5-2-6-12-23)34(44)38-29(31(36)41)20-22-9-3-1-4-10-22/h1-6,9-12,15-18,26-30,40H,7-8,13-14,19-21,35H2,(H2,36,41)(H,37,43)(H,38,44)(H,39,42)/t26-,27-,28+,29-,30-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of endomorphin-2 binding to rat brain mu opioid reeceptor


J Med Chem 48: 3239-50 (2005)


Article DOI: 10.1021/jm049157i
BindingDB Entry DOI: 10.7270/Q28P601Q
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50166049
PNG
((1S,2R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C34H41N5O5/c35-27(19-24-15-17-25(40)18-16-24)33(43)37-28-14-8-7-13-26(28)32(42)39-30(21-23-11-5-2-6-12-23)34(44)38-29(31(36)41)20-22-9-3-1-4-10-22/h1-6,9-12,15-18,26-30,40H,7-8,13-14,19-21,35H2,(H2,36,41)(H,37,43)(H,38,44)(H,39,42)/t26-,27-,28+,29-,30-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]endomorphin-2 from mu opioid receptor in Wistar rat brain


J Med Chem 51: 4270-9 (2008)


Article DOI: 10.1021/jm800223t
BindingDB Entry DOI: 10.7270/Q2QC038R
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50003571
PNG
((-)-3-Hydroxy-N-methylmorphinan hydrochloride (lev...)
Show SMILES CN1CCC23CCCCC2C1Cc1ccc(O)cc31 |TLB:0:1:9:18.12.11,THB:17:18:9:1.3.2|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3
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0.510n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Peptides 19: 1091-8 (1998)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2B27STB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50003571
PNG
((-)-3-Hydroxy-N-methylmorphinan hydrochloride (lev...)
Show SMILES CN1CCC23CCCCC2C1Cc1ccc(O)cc31 |TLB:0:1:9:18.12.11,THB:17:18:9:1.3.2|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3
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0.510n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Neurosci 18: 290-5 (2003)


Article DOI: 10.1046/j.1460-9568.2003.02744.x
BindingDB Entry DOI: 10.7270/Q2P55M37
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50202505
PNG
(CHEMBL197937 | H-Tyr-Tic-Cha-Phe-OH)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C37H44N4O6/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/h2,5-8,11-18,24,30-33,42H,1,3-4,9-10,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33?/m0/s1
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0.610n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6-deltorphin from delta opioid receptor in Wistar rat brain membrane


J Med Chem 50: 328-33 (2007)


Article DOI: 10.1021/jm060721u
BindingDB Entry DOI: 10.7270/Q2SF2VVJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021325
PNG
(4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2|
Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1
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0.630n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Peptides 19: 1091-8 (1998)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2B27STB
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50166050
PNG
((1S,2R)-2-[2-Amino-3-((S)-4-hydroxy-phenyl)-propio...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-26(18-23-14-16-24(39)17-15-23)32(42)36-27-13-7-12-25(27)31(41)38-29(20-22-10-5-2-6-11-22)33(43)37-28(30(35)40)19-21-8-3-1-4-9-21/h1-6,8-11,14-17,25-29,39H,7,12-13,18-20,34H2,(H2,35,40)(H,36,42)(H,37,43)(H,38,41)/t25-,26-,27+,28-,29-/m0/s1
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0.720n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]endomorphin-2 from mu opioid receptor in Wistar rat brain


J Med Chem 51: 4270-9 (2008)


Article DOI: 10.1021/jm800223t
BindingDB Entry DOI: 10.7270/Q2QC038R
More data for this
Ligand-Target Pair
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