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Compile Data Set for Download or QSAR

Found 441 hits with Last Name = 'guerrini' and Initial = 'r'   
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 receptor


(Homo sapiens (Human))
BDBM86660
PNG
(OFQ/N UFP-102)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H123FN28O17/c1-41(92-57(107)39-91-70(119)59(43(3)104)102-68(117)53(34-44-24-26-46(74)27-25-44)94-58(108)38-90-56(106)37-89-55(105)36-85-35-45-16-5-4-6-17-45)61(110)96-50(21-13-31-86-71(79)80)65(114)99-49(20-9-12-30-77)67(116)101-54(40-103)69(118)93-42(2)62(111)97-51(22-14-32-87-72(81)82)66(115)98-48(19-8-11-29-76)64(113)100-52(23-15-33-88-73(83)84)63(112)95-47(60(78)109)18-7-10-28-75/h4-6,16-17,24-27,41-43,47-54,59,85,103-104H,7-15,18-23,28-40,75-77H2,1-3H3,(H2,78,109)(H,89,105)(H,90,106)(H,91,119)(H,92,107)(H,93,118)(H,94,108)(H,95,112)(H,96,110)(H,97,111)(H,98,115)(H,99,114)(H,100,113)(H,101,116)(H,102,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t41-,42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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0.0210n/an/an/an/an/an/an/an/a



Section of Pharmacology

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 1114-23 (2005)


Article DOI: 10.1124/jpet.104.077339
BindingDB Entry DOI: 10.7270/Q2222SC4
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179190
PNG
(2-(2-(((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(O)=O
Show InChI InChI=1S/C31H33N5O5/c1-18-11-22(37)12-19(2)23(18)14-24(32)31(41)36-16-21-8-4-3-7-20(21)13-27(36)30(40)33-15-28-34-25-9-5-6-10-26(25)35(28)17-29(38)39/h3-12,24,27,37H,13-17,32H2,1-2H3,(H,33,40)(H,38,39)/t24-,27-/m0/s1
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0.0210n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from rat delta opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50121649
PNG
(2-[({2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCc1nc2ccccc2n1C(O)=O
Show InChI InChI=1S/C30H31N5O5/c1-17-11-21(36)12-18(2)22(17)14-23(31)29(38)34-16-20-8-4-3-7-19(20)13-26(34)28(37)32-15-27-33-24-9-5-6-10-25(24)35(27)30(39)40/h3-12,23,26,36H,13-16,31H2,1-2H3,(H,32,37)(H,39,40)/t23-,26?/m0/s1
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0.0210n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


Article DOI: 10.1021/jm020336e
BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50266025
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1
Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1
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0.0310n/an/an/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 using rat brain receptor (P2 synaptosome) assay


J Med Chem 45: 713-20 (2002)


Article DOI: 10.1021/jm010449i
BindingDB Entry DOI: 10.7270/Q2639QFF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179191
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26-/m0/s1
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0.0350n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


Article DOI: 10.1021/jm020336e
BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179191
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26-/m0/s1
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0.0350n/an/an/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 using rat brain receptor (P2 synaptosome) assay


J Med Chem 45: 713-20 (2002)


Article DOI: 10.1021/jm010449i
BindingDB Entry DOI: 10.7270/Q2639QFF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179191
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26-/m0/s1
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0.0350n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from rat delta opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50083160
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C34H44N4O4/c1-19-8-27(39)9-20(2)28(19)14-29(35)33(42)38-18-26-7-5-4-6-25(26)13-30(38)32(41)36-21(3)31(40)37-34-15-22-10-23(16-34)12-24(11-22)17-34/h4-9,21-24,29-30,39H,10-18,35H2,1-3H3,(H,36,41)(H,37,40)/t21-,22-,23+,24-,29-,30-,34?/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by H-Dmt-Tic-OH displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50121648
PNG
(2-({2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1nc2ccccc2[nH]1)C(O)=O
Show InChI InChI=1S/C31H33N5O5/c1-17-11-21(37)12-18(2)22(17)14-23(32)30(39)36-16-20-8-4-3-7-19(20)13-27(36)29(38)35-26(31(40)41)15-28-33-24-9-5-6-10-25(24)34-28/h3-12,23,26-27,37H,13-16,32H2,1-2H3,(H,33,34)(H,35,38)(H,40,41)/t23-,26-,27?/m0/s1
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0.0420n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


Article DOI: 10.1021/jm020336e
BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272081
PNG
(2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccccc1
Show InChI InChI=1S/C29H32N4O4/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(37)33-17-21-9-7-6-8-20(21)14-26(33)28(36)31-16-27(35)32-22-10-4-3-5-11-22/h3-13,25-26,34H,14-17,30H2,1-2H3,(H,31,36)(H,32,35)/t25-,26-/m0/s1
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0.0420n/an/an/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 using rat brain receptor (P2 synaptosome) assay


J Med Chem 45: 713-20 (2002)


Article DOI: 10.1021/jm010449i
BindingDB Entry DOI: 10.7270/Q2639QFF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50049378
PNG
(1-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O8/c1-23(2)32(37(54)43-22-31(42)50)46-38(55)33(24(3)4)47-39(56)40(18-10-7-11-19-40)48-36(53)30(21-26-12-8-6-9-13-26)45-34(51)25(5)44-35(52)29(41)20-27-14-16-28(49)17-15-27/h6,8-9,12-17,23-25,29-30,32-33,49H,7,10-11,18-22,41H2,1-5H3,(H2,42,50)(H,43,54)(H,44,52)(H,45,51)(H,46,55)(H,47,56)(H,48,53)/t25-,29-,30-,32-,33-/m0/s1
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0.0450n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE (0.63 nM) from Opioid receptor delta 1


J Med Chem 39: 773-80 (1996)


Article DOI: 10.1021/jm950490j
BindingDB Entry DOI: 10.7270/Q2QV3KKJ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50121645
PNG
(2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)pr...)
Show SMILES C[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C30H33N5O3/c1-17-12-22(36)13-18(2)23(17)15-24(31)30(38)35-16-21-9-5-4-8-20(21)14-27(35)29(37)32-19(3)28-33-25-10-6-7-11-26(25)34-28/h4-13,19,24,27,36H,14-16,31H2,1-3H3,(H,32,37)(H,33,34)/t19-,24-,27?/m0/s1
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0.0470n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


Article DOI: 10.1021/jm020336e
BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50049376
PNG
(1-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)C1(CCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H56N8O8/c1-22(2)31(36(53)42-21-30(41)49)45-37(54)32(23(3)4)46-38(55)39(17-9-10-18-39)47-35(52)29(20-25-11-7-6-8-12-25)44-33(50)24(5)43-34(51)28(40)19-26-13-15-27(48)16-14-26/h6-8,11-16,22-24,28-29,31-32,48H,9-10,17-21,40H2,1-5H3,(H2,41,49)(H,42,53)(H,43,51)(H,44,50)(H,45,54)(H,46,55)(H,47,52)/t24-,28-,29-,31-,32-/m0/s1
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0.0540n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE (0.63 nM) from Opioid receptor delta 1


J Med Chem 39: 773-80 (1996)


Article DOI: 10.1021/jm950490j
BindingDB Entry DOI: 10.7270/Q2QV3KKJ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50049377
PNG
(1-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)C1(CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O8/c1-20(2)29(34(51)40-19-28(39)47)43-35(52)30(21(3)4)44-36(53)37(15-16-37)45-33(50)27(18-23-9-7-6-8-10-23)42-31(48)22(5)41-32(49)26(38)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-27,29-30,46H,15-19,38H2,1-5H3,(H2,39,47)(H,40,51)(H,41,49)(H,42,48)(H,43,52)(H,44,53)(H,45,50)/t22-,26-,27-,29-,30-/m0/s1
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0.0540n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE (0.63 nM) from Opioid receptor delta 1


J Med Chem 39: 773-80 (1996)


Article DOI: 10.1021/jm950490j
BindingDB Entry DOI: 10.7270/Q2QV3KKJ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50083154
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C25H32N4O4/c1-14-9-19(30)10-15(2)20(14)12-21(26)25(33)29-13-18-8-6-5-7-17(18)11-22(29)24(32)28-16(3)23(31)27-4/h5-10,16,21-22,30H,11-13,26H2,1-4H3,(H,27,31)(H,28,32)/t16-,21-,22-/m0/s1
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0.0580n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by [3H]N,N-(Me)2-Dmt-Tic-OH displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50121645
PNG
(2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)pr...)
Show SMILES C[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C30H33N5O3/c1-17-12-22(36)13-18(2)23(17)15-24(31)30(38)35-16-21-9-5-4-8-20(21)14-27(35)29(37)32-19(3)28-33-25-10-6-7-11-26(25)34-28/h4-13,19,24,27,36H,14-16,31H2,1-3H3,(H,32,37)(H,33,34)/t19-,24-,27?/m0/s1
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0.0630n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


Article DOI: 10.1021/jm020336e
BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50083169
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NC(C)(C)C
Show InChI InChI=1S/C28H38N4O4/c1-16-11-21(33)12-17(2)22(16)14-23(29)27(36)32-15-20-10-8-7-9-19(20)13-24(32)26(35)30-18(3)25(34)31-28(4,5)6/h7-12,18,23-24,33H,13-15,29H2,1-6H3,(H,30,35)(H,31,34)/t18-,23-,24-/m0/s1
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0.0660n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by [3H]N,N-(Me)2-Dmt-Tic-OH displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50108919
PNG
(2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C30H33N5O3/c1-18-13-22(36)14-19(2)23(18)16-24(31)30(38)35-17-21-8-4-3-7-20(21)15-27(35)29(37)32-12-11-28-33-25-9-5-6-10-26(25)34-28/h3-10,13-14,24,27,36H,11-12,15-17,31H2,1-2H3,(H,32,37)(H,33,34)/t24-,27?/m0/s1
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0.0670n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


Article DOI: 10.1021/jm020336e
BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50108919
PNG
(2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C30H33N5O3/c1-18-13-22(36)14-19(2)23(18)16-24(31)30(38)35-17-21-8-4-3-7-20(21)15-27(35)29(37)32-12-11-28-33-25-9-5-6-10-26(25)34-28/h3-10,13-14,24,27,36H,11-12,15-17,31H2,1-2H3,(H,32,37)(H,33,34)/t24-,27?/m0/s1
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0.0670n/an/an/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 using rat brain receptor (P2 synaptosome) assay


J Med Chem 45: 713-20 (2002)


Article DOI: 10.1021/jm010449i
BindingDB Entry DOI: 10.7270/Q2639QFF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM86660
PNG
(OFQ/N UFP-102)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H123FN28O17/c1-41(92-57(107)39-91-70(119)59(43(3)104)102-68(117)53(34-44-24-26-46(74)27-25-44)94-58(108)38-90-56(106)37-89-55(105)36-85-35-45-16-5-4-6-17-45)61(110)96-50(21-13-31-86-71(79)80)65(114)99-49(20-9-12-30-77)67(116)101-54(40-103)69(118)93-42(2)62(111)97-51(22-14-32-87-72(81)82)66(115)98-48(19-8-11-29-76)64(113)100-52(23-15-33-88-73(83)84)63(112)95-47(60(78)109)18-7-10-28-75/h4-6,16-17,24-27,41-43,47-54,59,85,103-104H,7-15,18-23,28-40,75-77H2,1-3H3,(H2,78,109)(H,89,105)(H,90,106)(H,91,119)(H,92,107)(H,93,118)(H,94,108)(H,95,112)(H,96,110)(H,97,111)(H,98,115)(H,99,114)(H,100,113)(H,101,116)(H,102,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t41-,42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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0.0680n/an/an/an/an/an/an/an/a



Section of Pharmacology

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 1114-23 (2005)


Article DOI: 10.1124/jpet.104.077339
BindingDB Entry DOI: 10.7270/Q2222SC4
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50083160
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C34H44N4O4/c1-19-8-27(39)9-20(2)28(19)14-29(35)33(42)38-18-26-7-5-4-6-25(26)13-30(38)32(41)36-21(3)31(40)37-34-15-22-10-23(16-34)12-24(11-22)17-34/h4-9,21-24,29-30,39H,10-18,35H2,1-3H3,(H,36,41)(H,37,40)/t21-,22-,23+,24-,29-,30-,34?/m0/s1
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0.0730n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by [3H]N,N-(Me)2-Dmt-Tic-OH displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50060083
PNG
(2-({2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimeth...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C24H29N3O5/c1-13-8-18(28)9-14(2)19(13)11-20(25)23(30)27-12-17-7-5-4-6-16(17)10-21(27)22(29)26-15(3)24(31)32/h4-9,15,20-21,28H,10-12,25H2,1-3H3,(H,26,29)(H,31,32)/t15-,20+,21-/m0/s1
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0.0755n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor delta 1 by displacement of [3H]- DPDPE


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM86660
PNG
(OFQ/N UFP-102)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H123FN28O17/c1-41(92-57(107)39-91-70(119)59(43(3)104)102-68(117)53(34-44-24-26-46(74)27-25-44)94-58(108)38-90-56(106)37-89-55(105)36-85-35-45-16-5-4-6-17-45)61(110)96-50(21-13-31-86-71(79)80)65(114)99-49(20-9-12-30-77)67(116)101-54(40-103)69(118)93-42(2)62(111)97-51(22-14-32-87-72(81)82)66(115)98-48(19-8-11-29-76)64(113)100-52(23-15-33-88-73(83)84)63(112)95-47(60(78)109)18-7-10-28-75/h4-6,16-17,24-27,41-43,47-54,59,85,103-104H,7-15,18-23,28-40,75-77H2,1-3H3,(H2,78,109)(H,89,105)(H,90,106)(H,91,119)(H,92,107)(H,93,118)(H,94,108)(H,95,112)(H,96,110)(H,97,111)(H,98,115)(H,99,114)(H,100,113)(H,101,116)(H,102,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t41-,42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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0.0760n/an/an/an/an/an/an/an/a



Section of Pharmacology

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 1114-23 (2005)


Article DOI: 10.1124/jpet.104.077339
BindingDB Entry DOI: 10.7270/Q2222SC4
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50083169
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NC(C)(C)C
Show InChI InChI=1S/C28H38N4O4/c1-16-11-21(33)12-17(2)22(16)14-23(29)27(36)32-15-20-10-8-7-9-19(20)13-24(32)26(35)30-18(3)25(34)31-28(4,5)6/h7-12,18,23-24,33H,13-15,29H2,1-6H3,(H,30,35)(H,31,34)/t18-,23-,24-/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by H-Dmt-Tic-OH displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50083167
PNG
((S)-2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimeth...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C27H37N3O3/c1-17-12-21(31)13-18(2)22(17)15-24(29(6)7)26(33)30-16-20-11-9-8-10-19(20)14-23(30)25(32)28-27(3,4)5/h8-13,23-24,31H,14-16H2,1-7H3,(H,28,32)/t23-,24-/m0/s1
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0.110n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by H-Dmt-Tic-OH displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50059366
PNG
(((S)-2-{(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-h...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(O)=O
Show InChI InChI=1S/C37H53N7O9/c1-20(2)29(34(51)39-19-28(46)47)42-35(52)30(21(3)4)43-36(53)37(6,7)44-33(50)27(18-23-11-9-8-10-12-23)41-31(48)22(5)40-32(49)26(38)17-24-13-15-25(45)16-14-24/h8-16,20-22,26-27,29-30,45H,17-19,38H2,1-7H3,(H,39,51)(H,40,49)(H,41,48)(H,42,52)(H,43,53)(H,44,50)(H,46,47)/t22-,26+,27+,29+,30+/m1/s1
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0.110n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50060068
PNG
(2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimethyl-p...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(O)=O
Show InChI InChI=1S/C23H28N2O4/c1-14-9-18(26)10-15(2)19(14)12-20(24(3)4)22(27)25-13-17-8-6-5-7-16(17)11-21(25)23(28)29/h5-10,20-21,26H,11-13H2,1-4H3,(H,28,29)/t20-,21?/m0/s1
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0.118n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor delta 1 by displacement of [3H]- DPDPE


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50083154
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C25H32N4O4/c1-14-9-19(30)10-15(2)20(14)12-21(26)25(33)29-13-18-8-6-5-7-17(18)11-22(29)24(32)28-16(3)23(31)27-4/h5-10,16,21-22,30H,11-13,26H2,1-4H3,(H,27,31)(H,28,32)/t16-,21-,22-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by H-Dmt-Tic-OH displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179187
PNG
(CHEMBL197183 | ethyl 2-(2-(((S)-2-((S)-2-amino-3-(...)
Show SMILES CCOC(=O)Cn1c(CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc2ccccc12
Show InChI InChI=1S/C33H37N5O5/c1-4-43-31(40)19-37-28-12-8-7-11-27(28)36-30(37)17-35-32(41)29-15-22-9-5-6-10-23(22)18-38(29)33(42)26(34)16-25-20(2)13-24(39)14-21(25)3/h5-14,26,29,39H,4,15-19,34H2,1-3H3,(H,35,41)/t26-,29-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from rat delta opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50121640
PNG
(2-[2-Dimethylamino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1CC(C(O)=O)c2ccccc2C1
Show InChI InChI=1S/C23H28N2O4/c1-14-9-17(26)10-15(2)19(14)11-21(24(3)4)22(27)25-12-16-7-5-6-8-18(16)20(13-25)23(28)29/h5-10,20-21,26H,11-13H2,1-4H3,(H,28,29)/t20?,21-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound towards the Opioid receptor delta 1 in rat synaptosomal membrane was determined using [3H]-DPDPE as radioligand


J Med Chem 45: 5506-13 (2002)


Article DOI: 10.1021/jm020330p
BindingDB Entry DOI: 10.7270/Q2DN44DF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50059370
PNG
((S)-3-((S)-2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H54N8O10/c1-20(2)30(35(54)41-19-28(40)48)45-36(55)31(21(3)4)44-34(53)27(18-29(49)50)42-33(52)26(17-22-10-8-7-9-11-22)43-37(56)38(5,6)46-32(51)25(39)16-23-12-14-24(47)15-13-23/h7-15,20-21,25-27,30-31,47H,16-19,39H2,1-6H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t25-,26-,27-,30-,31-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50083166
PNG
((S)-2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimeth...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C33H43N3O3/c1-20-9-27(37)10-21(2)28(20)15-30(35(3)4)32(39)36-19-26-8-6-5-7-25(26)14-29(36)31(38)34-33-16-22-11-23(17-33)13-24(12-22)18-33/h5-10,22-24,29-30,37H,11-19H2,1-4H3,(H,34,38)/t22-,23+,24-,29-,30-,33?/m0/s1
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0.120n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by H-Dmt-Tic-OH displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179189
PNG
((S)-N-((1-allyl-1H-benzo[d]imidazol-2-yl)methyl)-2...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC=C
Show InChI InChI=1S/C32H35N5O3/c1-4-13-36-28-12-8-7-11-27(28)35-30(36)18-34-31(39)29-16-22-9-5-6-10-23(22)19-37(29)32(40)26(33)17-25-20(2)14-24(38)15-21(25)3/h4-12,14-15,26,29,38H,1,13,16-19,33H2,2-3H3,(H,34,39)/t26-,29-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from rat delta opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50108916
PNG
(2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1c1nc2ccccc2[nH]1
Show InChI InChI=1S/C27H28N4O2/c1-16-11-20(32)12-17(2)21(16)14-22(28)27(33)31-15-19-8-4-3-7-18(19)13-25(31)26-29-23-9-5-6-10-24(23)30-26/h3-12,22,25,32H,13-15,28H2,1-2H3,(H,29,30)/t22-,25?/m0/s1
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0.130n/an/an/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 using rat brain receptor (P2 synaptosome) assay


J Med Chem 45: 713-20 (2002)


Article DOI: 10.1021/jm010449i
BindingDB Entry DOI: 10.7270/Q2639QFF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50060082
PNG
(2-({2-[(S)-3-(4-Hydroxy-2,6-dimethyl-phenyl)-2-met...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(O)cc1C)N(C)C)C(O)=O
Show InChI InChI=1S/C26H33N3O5/c1-15-10-20(30)11-16(2)21(15)13-23(28(4)5)25(32)29-14-19-9-7-6-8-18(19)12-22(29)24(31)27-17(3)26(33)34/h6-11,17,22-23,30H,12-14H2,1-5H3,(H,27,31)(H,33,34)/t17-,22-,23-/m0/s1
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0.136n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor delta 1 by displacement of [3H]- DPDPE


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50083156
PNG
((S)-2-({(S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimeth...)
Show SMILES COC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C25H31N3O5/c1-14-9-19(29)10-15(2)20(14)12-21(26)24(31)28-13-18-8-6-5-7-17(18)11-22(28)23(30)27-16(3)25(32)33-4/h5-10,16,21-22,29H,11-13,26H2,1-4H3,(H,27,30)/t16-,21-,22-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by H-Dmt-Tic-OH displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM85822
PNG
(Demethyl-AMPA | OFQ/N | OFQ/N (1-11) | OFQ/N (1-11...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Section of Pharmacology

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 1114-23 (2005)


Article DOI: 10.1124/jpet.104.077339
BindingDB Entry DOI: 10.7270/Q2222SC4
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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0.150n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor delta 1 binding affinity by displacement of radioligand [3H][D-Pen]-enkephalin (DPDPE) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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0.150n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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0.150n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE (0.63 nM) from Opioid receptor delta 1


J Med Chem 39: 773-80 (1996)


Article DOI: 10.1021/jm950490j
BindingDB Entry DOI: 10.7270/Q2QV3KKJ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179188
PNG
((S)-N-((1-(2-amino-2-oxoethyl)-1H-benzo[d]imidazol...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(N)=O
Show InChI InChI=1S/C31H34N6O4/c1-18-11-22(38)12-19(2)23(18)14-24(32)31(41)37-16-21-8-4-3-7-20(21)13-27(37)30(40)34-15-29-35-25-9-5-6-10-26(25)36(29)17-28(33)39/h3-12,24,27,38H,13-17,32H2,1-2H3,(H2,33,39)(H,34,40)/t24-,27-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from rat delta opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50272081
PNG
(2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccccc1
Show InChI InChI=1S/C29H32N4O4/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(37)33-17-21-9-7-6-8-20(21)14-26(33)28(36)31-16-27(35)32-22-10-4-3-5-11-22/h3-13,25-26,34H,14-17,30H2,1-2H3,(H,31,36)(H,32,35)/t25-,26-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Binding affinity for rat brain P2 synaptosome Opioid receptor mu 1


J Med Chem 45: 713-20 (2002)


Article DOI: 10.1021/jm010449i
BindingDB Entry DOI: 10.7270/Q2639QFF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50266025
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1
Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Binding affinity for rat brain P2 synaptosome Opioid receptor mu 1


J Med Chem 45: 713-20 (2002)


Article DOI: 10.1021/jm010449i
BindingDB Entry DOI: 10.7270/Q2639QFF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50083166
PNG
((S)-2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimeth...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C33H43N3O3/c1-20-9-27(37)10-21(2)28(20)15-30(35(3)4)32(39)36-19-26-8-6-5-7-25(26)14-29(36)31(38)34-33-16-22-11-23(17-33)13-24(12-22)18-33/h5-10,22-24,29-30,37H,11-19H2,1-4H3,(H,34,38)/t22-,23+,24-,29-,30-,33?/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by [3H]N,N-(Me)2-Dmt-Tic-OH displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50121639
PNG
(1-[3-(Adamantan-1-ylamino)-3,4-dihydro-1H-isoquino...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C32H43N3O2/c1-20-9-27(36)10-21(2)28(20)15-29(34(3)4)31(37)35-19-26-8-6-5-7-25(26)14-30(35)33-32-16-22-11-23(17-32)13-24(12-22)18-32/h5-10,22-24,29-30,33,36H,11-19H2,1-4H3/t22?,23?,24?,29-,30?,32?/m0/s1
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0.160n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound towards the Opioid receptor delta 1 in rat synaptosomal membrane was determined using [3H]-DPDPE as radioligand


J Med Chem 45: 5506-13 (2002)


Article DOI: 10.1021/jm020330p
BindingDB Entry DOI: 10.7270/Q2DN44DF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179192
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1C
Show InChI InChI=1S/C30H33N5O3/c1-18-12-22(36)13-19(2)23(18)15-24(31)30(38)35-17-21-9-5-4-8-20(21)14-27(35)29(37)32-16-28-33-25-10-6-7-11-26(25)34(28)3/h4-13,24,27,36H,14-17,31H2,1-3H3,(H,32,37)/t24-,27-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from rat delta opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179186
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C36H37N5O3/c1-23-16-28(42)17-24(2)29(23)19-30(37)36(44)41-22-27-13-7-6-12-26(27)18-33(41)35(43)38-20-34-39-31-14-8-9-15-32(31)40(34)21-25-10-4-3-5-11-25/h3-17,30,33,42H,18-22,37H2,1-2H3,(H,38,43)/t30-,33-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from rat delta opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50059367
PNG
((S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H54N8O8/c1-20(2)29(34(51)40-19-28(39)47)43-35(52)30(21(3)4)44-36(53)37(6,7)45-33(50)27(18-23-11-9-8-10-12-23)42-31(48)22(5)41-32(49)26(38)17-24-13-15-25(46)16-14-24/h8-16,20-22,26-27,29-30,46H,17-19,38H2,1-7H3,(H2,39,47)(H,40,51)(H,41,49)(H,42,48)(H,43,52)(H,44,53)(H,45,50)/t22-,26+,27+,29+,30+/m1/s1
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0.200n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50060071
PNG
(2-[(S)-3-(4-Hydroxy-2,6-dimethyl-phenyl)-2-methyla...)
Show SMILES CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(O)=O
Show InChI InChI=1S/C22H26N2O4/c1-13-8-17(25)9-14(2)18(13)11-19(23-3)21(26)24-12-16-7-5-4-6-15(16)10-20(24)22(27)28/h4-9,19-20,23,25H,10-12H2,1-3H3,(H,27,28)/t19-,20?/m0/s1
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0.203n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor delta 1 by displacement of [3H]- DPDPE


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009142
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25-,26-,27-,30-,31-/m0/s1
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0.210n/an/an/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 using rat brain receptor (P2 synaptosome) assay


J Med Chem 45: 713-20 (2002)


Article DOI: 10.1021/jm010449i
BindingDB Entry DOI: 10.7270/Q2639QFF
More data for this
Ligand-Target Pair
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