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139 similar compounds to monomer 21025

Compile data set for download or QSAR
Wt: 278.3
BDBM50027516
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Wt: 768.9
BDBM50366304
Wt: 783.0
BDBM50366302
Wt: 691.8
BDBM50006946
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Wt: 555.6
BDBM50001465
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Wt: 583.6
BDBM50071199
Wt: 568.6
BDBM21124
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Wt: 553.6
BDBM21127
Wt: 579.6
BDBM21128
Wt: 639.7
BDBM50450653
Wt: 625.7
BDBM50450654
Wt: 639.7
BDBM50450655
Wt: 625.7
BDBM50450656
Wt: 789.9
BDBM50089072
Wt: 370.3
BDBM36212
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Displayed 1 to 15 (of 139 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 117 hits for monomerid = 50027516,50366304,50366302,50006946,50001465,50071199,21124,21127,21128,50450653,50450654,50450655,50450656,50089072,36212   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity was determined towards Opioid receptor delta 1 in rat brain synaptosomes using [3H]-deltorphin II as radioligand.


Bioorg Med Chem Lett 11: 327-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00665-x
BindingDB Entry DOI: 10.7270/Q2571B8P
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]DADLE


J Med Chem 32: 302-4 (1989)


Article DOI: 10.1021/jm00122a005
BindingDB Entry DOI: 10.7270/Q2SX6DT2
More data for this
Ligand-Target Pair
OPRD1


(GUINEA PIG)
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity was determined towards Opioid receptor mu 1 in rat brain synaptosomes using [3H]-DAMGO as radioligand.


Bioorg Med Chem Lett 11: 327-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00665-x
BindingDB Entry DOI: 10.7270/Q2571B8P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21124
PNG
((2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C29H40N6O6/c1-17(2)13-23(26(31)38)35-29(41)24(15-19-7-5-4-6-8-19)34-25(37)16-32-27(39)18(3)33-28(40)22(30)14-20-9-11-21(36)12-10-20/h4-12,17-18,22-24,36H,13-16,30H2,1-3H3,(H2,31,38)(H,32,39)(H,33,40)(H,34,37)(H,35,41)/t18-,22+,23+,24+/m1/s1
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2.40 -11.8n/an/an/an/an/a7.425



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 50: 5528-32 (2007)


Article DOI: 10.1021/jm061465o
BindingDB Entry DOI: 10.7270/Q2D50K8P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity of Opioid receptor delta 1 by the displacement of delta-selective [3H]DSLET from brain membrane preparations.


J Med Chem 30: 1991-4 (1987)


Article DOI: 10.1021/jm00394a010
BindingDB Entry DOI: 10.7270/Q24T6JZK
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from Opioid receptor delta 1 from rat brain homogenate


J Med Chem 28: 1766-71 (1986)


Article DOI: 10.1021/jm00150a005
BindingDB Entry DOI: 10.7270/Q2K9383S
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor delta 1 determined by displacing [3H]-DSLET from rat brain membrane binding sites


J Med Chem 42: 3520-6 (1999)


Article DOI: 10.1021/jm980724+
BindingDB Entry DOI: 10.7270/Q2SJ1JT1
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Tested for binding affinity against delta opioid receptor by displacing [3H]- DSLET radioligand from rat brain membrane preparations


J Med Chem 36: 3182-7 (1993)


Article DOI: 10.1021/jm00073a020
BindingDB Entry DOI: 10.7270/Q2F190BW
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to opioid receptor delta from rat brain membrane


J Med Chem 35: 3956-61 (1992)


Article DOI: 10.1021/jm00099a025
BindingDB Entry DOI: 10.7270/Q2H70DRH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptors was determined by displacement of [3H]DSLET from rat brain membrane binding site


J Med Chem 37: 1136-44 (1994)


Article DOI: 10.1021/jm00034a011
BindingDB Entry DOI: 10.7270/Q22Z1650
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 by displacement of radioligand [3H]-DSLET in rat brain membrane


J Med Chem 32: 698-703 (1989)


Article DOI: 10.1021/jm00123a035
BindingDB Entry DOI: 10.7270/Q29W0DGM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace delta-receptor specific radioligand [3H]DSLET


J Med Chem 32: 302-4 (1989)


Article DOI: 10.1021/jm00122a005
BindingDB Entry DOI: 10.7270/Q2SX6DT2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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PubMed
2.5n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Tested for binding affinity towards Opioid receptor delta 1 in rat and guinea pig brain membrane binding assays


Bioorg Med Chem Lett 11: 323-5 (2001)


Article DOI: 10.1016/s0960-894x(00)00660-0
BindingDB Entry DOI: 10.7270/Q290231V
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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2.53n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by PDSP Ki Database




Eur J Med Chem 35: 895-901 (2000)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q23X856N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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PubMed
3.40n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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PubMed
4n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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PubMed
6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 of guinea pig brain membranes using 1 nM of [3H]DADLE as radioligand


J Med Chem 29: 1222-5 (1987)


Article DOI: 10.1021/jm00157a018
BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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6.58n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1007-13 (1998)


Article DOI: 10.1111/cbdd.12587
BindingDB Entry DOI: 10.7270/Q2QC022N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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6.60n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 423-8 (1995)


BindingDB Entry DOI: 10.7270/Q2TM78M9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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7.40n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21124
PNG
((2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C29H40N6O6/c1-17(2)13-23(26(31)38)35-29(41)24(15-19-7-5-4-6-8-19)34-25(37)16-32-27(39)18(3)33-28(40)22(30)14-20-9-11-21(36)12-10-20/h4-12,17-18,22-24,36H,13-16,30H2,1-3H3,(H2,31,38)(H,32,39)(H,33,40)(H,34,37)(H,35,41)/t18-,22+,23+,24+/m1/s1
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PubMed
7.70 -11.1n/an/an/an/an/a7.425



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 50: 5528-32 (2007)


Article DOI: 10.1021/jm061465o
BindingDB Entry DOI: 10.7270/Q2D50K8P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21127
PNG
((5S,8R,13R)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C28H35N5O7/c29-20(14-18-10-12-19(34)13-11-18)25(36)32-21-8-4-5-9-22(28(39)40)33-27(38)23(15-17-6-2-1-3-7-17)31-24(35)16-30-26(21)37/h1-3,6-7,10-13,20-23,34H,4-5,8-9,14-16,29H2,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t20-,21+,22+,23-/m0/s1
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7.90 -11.0n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 50: 3138-3142 (2007)


Article DOI: 10.1021/jm061048b
BindingDB Entry DOI: 10.7270/Q28G8J0K
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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8.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H][D-Ala2,D-Leu5]enkephalin binding to Opioid receptor delta 1 in the rat brain homogenate


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21128
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC=C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC=C)C(O)=O
Show InChI InChI=1S/C30H37N5O7/c1-3-8-23(34-27(38)22(31)16-20-12-14-21(36)15-13-20)28(39)32-18-26(37)33-25(17-19-10-6-5-7-11-19)29(40)35-24(9-4-2)30(41)42/h3-7,10-15,22-25,36H,1-2,8-9,16-18,31H2,(H,32,39)(H,33,37)(H,34,38)(H,35,40)(H,41,42)/t22-,23+,24+,25-/m0/s1
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8.10 -11.0n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 50: 3138-3142 (2007)


Article DOI: 10.1021/jm061048b
BindingDB Entry DOI: 10.7270/Q28G8J0K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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PubMed
9.16n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1007-13 (1998)


Article DOI: 10.1111/cbdd.12587
BindingDB Entry DOI: 10.7270/Q2QC022N
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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9.40n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace Opioid receptor mu 1 specific radioligand [3H]DAGO


J Med Chem 32: 302-4 (1989)


Article DOI: 10.1021/jm00122a005
BindingDB Entry DOI: 10.7270/Q2SX6DT2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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9.40n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity of Opioid receptor mu 1 mu 1 by the displacement of mu-selective [3H]DAGO from brain membrane preparations.


J Med Chem 30: 1991-4 (1987)


Article DOI: 10.1021/jm00394a010
BindingDB Entry DOI: 10.7270/Q24T6JZK
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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9.40n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptors by displacement of [3H]-DAMGO from rat brain membrane binding site


J Med Chem 37: 1136-44 (1994)


Article DOI: 10.1021/jm00034a011
BindingDB Entry DOI: 10.7270/Q22Z1650
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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9.40n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Tested for binding affinity against mu opioid receptor fby displacing [3H]- DAMGO radioligand from rat brain membrane preparations


J Med Chem 36: 3182-7 (1993)


Article DOI: 10.1021/jm00073a020
BindingDB Entry DOI: 10.7270/Q2F190BW
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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9.40n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to opioid receptor mu from rat brain membrane


J Med Chem 35: 3956-61 (1992)


Article DOI: 10.1021/jm00099a025
BindingDB Entry DOI: 10.7270/Q2H70DRH
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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9.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for its ability to displace [3H]DAGO binding to Opioid receptor mu 1 from rat brain homogenate


J Med Chem 28: 1766-71 (1986)


Article DOI: 10.1021/jm00150a005
BindingDB Entry DOI: 10.7270/Q2K9383S
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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9.40n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
. Binding affinity for Opioid receptor mu 1 determined by displacing [3H]-DAMGO from rat brain membrane binding sites


J Med Chem 42: 3520-6 (1999)


Article DOI: 10.1021/jm980724+
BindingDB Entry DOI: 10.7270/Q2SJ1JT1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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9.40n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Tested for binding affinity towards Opioid receptor mu 1 in rat and guinea pig brain membrane binding assays


Bioorg Med Chem Lett 11: 323-5 (2001)


Article DOI: 10.1016/s0960-894x(00)00660-0
BindingDB Entry DOI: 10.7270/Q290231V
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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9.40n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 by displacement of radioligand [3H]-DAGO in rat brain membrane


J Med Chem 32: 698-703 (1989)


Article DOI: 10.1021/jm00123a035
BindingDB Entry DOI: 10.7270/Q29W0DGM
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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9.43n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by PDSP Ki Database




Eur J Med Chem 35: 895-901 (2000)


Article DOI: 10.1111/cbdd.12675
BindingDB Entry DOI: 10.7270/Q23X856N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50006946
PNG
(2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
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19n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]DPDPE as radioligand


J Med Chem 47: 281-4 (2004)


Article DOI: 10.1021/jm030419a
BindingDB Entry DOI: 10.7270/Q20K2990
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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21.7n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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24n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 was determined using ([d-Ala2,MePhe4, Gly5-ol]-enkephalin (DAMGO) as the radioligand.


Bioorg Med Chem Lett 12: 3175-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00678-9
BindingDB Entry DOI: 10.7270/Q2862FSM
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]naloxone to Opioid receptor mu 1 in the rat brain homogenate


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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31n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 was determined using [d-Ser2, Leu5, Thr6] enkephalin (DSLET) as the radioligand.


Bioorg Med Chem Lett 12: 3175-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00678-9
BindingDB Entry DOI: 10.7270/Q2862FSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50006946
PNG
(2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
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35n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity at Opioid receptor delta 1 in guinea pig brain membranes


J Med Chem 34: 1757-62 (1991)


Article DOI: 10.1021/jm00110a001
BindingDB Entry DOI: 10.7270/Q2DZ08XD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50006946
PNG
(2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
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35n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against Opioid receptor delta 1 in guinea pig brain membrane using [3H]- DPDPE as ligand


J Med Chem 35: 4325-9 (1992)


Article DOI: 10.1021/jm00101a009
BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50006946
PNG
(2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
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35n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of opioid receptor delta


J Med Chem 33: 1714-20 (1990)


Article DOI: 10.1021/jm00168a028
BindingDB Entry DOI: 10.7270/Q27P9003
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50006946
PNG
(2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
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35n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity was measured by the displacement of [3H]- EK in guinea pig brain membrane of opioid receptor kappa


J Med Chem 33: 1714-20 (1990)


Article DOI: 10.1021/jm00168a028
BindingDB Entry DOI: 10.7270/Q27P9003
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21127
PNG
((5S,8R,13R)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C28H35N5O7/c29-20(14-18-10-12-19(34)13-11-18)25(36)32-21-8-4-5-9-22(28(39)40)33-27(38)23(15-17-6-2-1-3-7-17)31-24(35)16-30-26(21)37/h1-3,6-7,10-13,20-23,34H,4-5,8-9,14-16,29H2,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t20-,21+,22+,23-/m0/s1
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56.9 -9.88n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 50: 3138-3142 (2007)


Article DOI: 10.1021/jm061048b
BindingDB Entry DOI: 10.7270/Q28G8J0K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21128
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC=C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC=C)C(O)=O
Show InChI InChI=1S/C30H37N5O7/c1-3-8-23(34-27(38)22(31)16-20-12-14-21(36)15-13-20)28(39)32-18-26(37)33-25(17-19-10-6-5-7-11-19)29(40)35-24(9-4-2)30(41)42/h3-7,10-15,22-25,36H,1-2,8-9,16-18,31H2,(H,32,39)(H,33,37)(H,34,38)(H,35,40)(H,41,42)/t22-,23+,24+,25-/m0/s1
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64.5 -9.80n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 50: 3138-3142 (2007)


Article DOI: 10.1021/jm061048b
BindingDB Entry DOI: 10.7270/Q28G8J0K
More data for this
Ligand-Target Pair
Opioid receptor homologue


(Danio rerio)
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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73n/an/an/an/an/an/an/an/a



Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from zebrafish delta 1a opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


Bioorg Med Chem 25: 2260-2265 (2017)


Article DOI: 10.1016/j.bmc.2017.02.052
More data for this
Ligand-Target Pair
Opioid receptor, delta 1b


(Danio rerio)
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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175n/an/an/an/an/an/an/an/a



Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method


Bioorg Med Chem 25: 2260-2265 (2017)


Article DOI: 10.1016/j.bmc.2017.02.052
More data for this
Ligand-Target Pair
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Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50027516,50366304,50366302,50006946,50001465,50071199,21124,21127,21128,50450653,50450654,50450655,50450656,50089072,36212
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM36126
JPEG
BDBM36212
JPEG
CHEBI
MMDB
PC cid
PC sid
PC cid
PC sid
-1.890.983-2.871.386.9025



Japan Science and Technology Agency





J Org Chem 68: 5228-35 (2003)