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Compile Data Set for Download or QSAR

Found 286 hits with Last Name = 'borsodi' and Initial = 'a'   
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))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Opioid receptor delta 1 in rat brain homogenates using [3H]DIDI as radioligand


Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
OPRK1


(Frog)
BDBM81931
PNG
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1
Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Biological Research Center of Hungarian Academy of Sciences

Curated by PDSP Ki Database




Neurochem Res 15: 899-904 (1990)


Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460
More data for this
Ligand-Target Pair
OPRK1


(Frog)
BDBM81931
PNG
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1
Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Biological Research Center of Hungarian Academy of Sciences

Curated by PDSP Ki Database




Neurochem Res 15: 899-904 (1990)


Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM81931
PNG
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1
Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Biological Research Center of Hungarian Academy of Sciences

Curated by PDSP Ki Database




Neurochem Res 15: 899-904 (1990)


Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460
More data for this
Ligand-Target Pair
OPRK1


(Frog)
BDBM81931
PNG
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1
Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Biological Research Center of Hungarian Academy of Sciences

Curated by PDSP Ki Database




Neurochem Res 15: 899-904 (1990)


Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460
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
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM81931
PNG
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1
Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Biological Research Center of Hungarian Academy of Sciences

Curated by PDSP Ki Database




Neurochem Res 15: 899-904 (1990)


Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460
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
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM81931
PNG
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1
Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Biological Research Center of Hungarian Academy of Sciences

Curated by PDSP Ki Database




Neurochem Res 15: 899-904 (1990)


Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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0.330n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Opioid receptor delta 1 in rat brain homogenates using [3H]naltrindole as radioligand


Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
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))
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))
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))
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))
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
OPRK1


(Frog)
BDBM81935
PNG
(CAS_105618-26-6 | NSC_3034416 | Nor-BNI)
Show SMILES Oc1ccc2CC(C3CC3)N3CCC45C(Oc1c24)c1[nH]c2C4Oc6c7c(CC(C8CC8)N8CCC47C(O)(C8)Cc2c1CC5(O)C3)ccc6O |TLB:7:6:12.11:44.42,43:42:6.5.4.17:12.11,28:27:35.37:32.33,THB:23:24:35.37:32.33,45:25:35.37:32.33,41:42:6.5.4.17:12.11,16:17:12.11:44.42,3:4:12.11:44.42,36:35:32.33:25.24.26.27|
Show InChI InChI=1S/C40H43N3O6/c44-27-7-5-21-13-25(19-1-2-19)42-11-9-39-29(21)33(27)48-35(39)31-23(15-37(39,46)17-42)24-16-38(47)18-43-12-10-40(38)30-22(14-26(43)20-3-4-20)6-8-28(45)34(30)49-36(40)32(24)41-31/h5-8,19-20,25-26,35-36,41,44-47H,1-4,9-18H2
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0.400n/an/an/an/an/an/an/an/a



Biological Research Center of Hungarian Academy of Sciences

Curated by PDSP Ki Database




Neurochem Res 15: 899-904 (1990)


Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460
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))
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
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
Kappa-type 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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0.5n/an/an/an/an/an/an/an/a



Biological Research Center of Hungarian Academy of Sciences

Curated by PDSP Ki Database




Neurochem Res 15: 899-904 (1990)


Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Biological Research Center of Hungarian Academy of Sciences

Curated by PDSP Ki Database




Neurochem Res 15: 899-904 (1990)


Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460
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
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
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
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
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Biological Research Center of Hungarian Academy of Sciences

Curated by PDSP Ki Database




Neurochem Res 15: 899-904 (1990)


Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460
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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50326659
PNG
(3,10-dimethoxy-17-methyl-(10S)-17-azatetracyclo[7....)
Show SMILES COc1cccc2C[C@H]3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-20-10-9-18-12-14(21)7-8-19(18,23-3)16(20)11-13-5-4-6-15(22-2)17(13)18/h4-6,16H,7-12H2,1-3H3/t16-,18-,19-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]DAMGO from mu receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50290387
PNG
(22-cyclopropylmethyl-2-ethoxy-13-methyl-14-oxa-11,...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |r,THB:30:19:3:22.28.27,17:18:3:22.28.27|
Show InChI InChI=1S/C29H32N2O3/c1-3-33-29-15-20-19-6-4-5-7-21(19)30-26(20)27(2)28(29)12-13-31(16-17-8-9-17)23(29)14-18-10-11-22(32)25(34-27)24(18)28/h4-7,10-11,17,23,30,32H,3,8-9,12-16H2,1-2H3/t23?,27-,28-,29+/m0/s1
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0.780n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Opioid receptor delta 1 in rat brain homogenates using [3H]naltrindole as radioligand


Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
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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0.800n/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 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))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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0.900n/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
OPRK1


(Frog)
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Biological Research Center of Hungarian Academy of Sciences

Curated by PDSP Ki Database




Neurochem Res 15: 899-904 (1990)


Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50285003
PNG
(3,10-dimethoxy-17-phenethyl-17-azatetracyclo[7.5.3...)
Show SMILES COc1cccc2CC3N(CCc4ccccc4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r,TLB:5:6:26:9.19.18,2:29:26:9.19.18|
Show InChI InChI=1S/C26H31NO3/c1-29-22-10-6-9-20-17-23-26(30-2)13-11-21(28)18-25(26,24(20)22)14-16-27(23)15-12-19-7-4-3-5-8-19/h3-10,23H,11-18H2,1-2H3/t23?,25-,26-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]DAMGO from mu receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50087063
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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0.940n/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))
BDBM50139015
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C33H39N5O5/c1-21(24-11-6-3-7-12-24)29(30(35)40)37-31(41)27(20-22-9-4-2-5-10-22)36-32(42)28-13-8-18-38(28)33(43)26(34)19-23-14-16-25(39)17-15-23/h2-7,9-12,14-17,21,26-29,39H,8,13,18-20,34H2,1H3,(H2,35,40)(H,36,42)(H,37,41)/t21-,26-,27-,28-,29-/m0/s1
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0.970n/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))
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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1n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes by liquid scintillation counting based competition binding assay


ACS Med Chem Lett 5: 1032-6 (2014)


Article DOI: 10.1021/ml500241n
BindingDB Entry DOI: 10.7270/Q23T9JS5
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50087063
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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1n/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
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