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143 similar compounds to monomer 50111639

Wt: 642.7
BDBM21115
Wt: 455.5
BDBM21123
Purchase
Wt: 568.6
BDBM21124
Purchase
Wt: 509.5
BDBM50083734
Wt: 458.4
BDBM50093825
Wt: 509.5
BDBM50083729
Wt: 509.5
BDBM50083735
Wt: 521.6
BDBM82064
Purchase
Wt: 571.6
BDBM86257
Wt: 568.6
BDBM50452137
Wt: 642.7
BDBM50027505
Wt: 628.7
BDBM50027508
Wt: 668.7
BDBM50027510
Wt: 555.6
BDBM50027506
Wt: 670.7
BDBM50027512
Displayed 1 to 15 (of 141 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 58 hits for monomerid = 21115,21123,21124,50083734,50093825,50083729,50083735,82064,86257,50452137,50027505,50027508,50027510,50027506,50027512   
Target
(Institution)
LigandTarget
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027508
PNG
(Acetate1-(6-benzyl-3-isobutyl-2,5,8,11-tetraoxo-1,...)
Show SMILES CC(O)=O.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.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t18-,22+,23+,24+;/m1./s1
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2.20n/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)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027512
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C32H46N6O6.C2H4O2/c1-4-5-11-25(37-30(42)24(33)17-22-12-14-23(39)15-13-22)31(43)35-19-28(40)36-27(18-21-9-7-6-8-10-21)32(44)38-26(29(34)41)16-20(2)3;1-2(3)4/h6-10,12-15,20,24-27,39H,4-5,11,16-19,33H2,1-3H3,(H2,34,41)(H,35,43)(H,36,40)(H,37,42)(H,38,44);1H3,(H,3,4)/t24-,25+,26-,27-;/m0./s1
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2.27n/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)

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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PubMed
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)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027508
PNG
(Acetate1-(6-benzyl-3-isobutyl-2,5,8,11-tetraoxo-1,...)
Show SMILES CC(O)=O.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.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t18-,22+,23+,24+;/m1./s1
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2.5n/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)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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2.80 -11.7n/an/a 13n/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)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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2.80n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells


Bioorg Med Chem Lett 20: 4080-4 (2010)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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2.80n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells


Bioorg Med Chem Lett 20: 4080-4 (2010)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027506
PNG
(Acetate1-(3-benzyl-2,5,8-trioxo-1,4,7triaza-cyclot...)
Show SMILES CC(O)=O.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
Show InChI InChI=1S/C26H33N5O5.C2H4O2/c27-20(14-18-9-11-19(32)12-10-18)24(34)31-21-8-4-5-13-28-26(36)22(15-17-6-2-1-3-7-17)30-23(33)16-29-25(21)35;1-2(3)4/h1-3,6-7,9-12,20-22,32H,4-5,8,13-16,27H2,(H,28,36)(H,29,35)(H,30,33)(H,31,34);1H3,(H,3,4)/t20-,21+,22-;/m0./s1
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3.10n/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)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027505
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C30H42N6O6.C2H4O2/c1-4-23(35-28(40)22(31)15-20-10-12-21(37)13-11-20)29(41)33-17-26(38)34-25(16-19-8-6-5-7-9-19)30(42)36-24(27(32)39)14-18(2)3;1-2(3)4/h5-13,18,22-25,37H,4,14-17,31H2,1-3H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)(H,36,42);1H3,(H,3,4)/t22-,23+,24-,25-;/m0./s1
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4.06n/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)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027512
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C32H46N6O6.C2H4O2/c1-4-5-11-25(37-30(42)24(33)17-22-12-14-23(39)15-13-22)31(43)35-19-28(40)36-27(18-21-9-7-6-8-10-21)32(44)38-26(29(34)41)16-20(2)3;1-2(3)4/h6-10,12-15,20,24-27,39H,4-5,11,16-19,33H2,1-3H3,(H2,34,41)(H,35,43)(H,36,40)(H,37,42)(H,38,44);1H3,(H,3,4)/t24-,25+,26-,27-;/m0./s1
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4.40n/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)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027510
PNG
(Acetate1-(6-benzyl-3-isobutyl-2,5,8,11-tetraoxo-1,...)
Show SMILES CC(O)=O.CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C32H44N6O6.C2H4O2/c1-20(2)16-26-31(43)34-15-7-6-10-25(37-29(41)24(33)17-22-11-13-23(39)14-12-22)30(42)35-19-28(40)36-27(32(44)38-26)18-21-8-4-3-5-9-21;1-2(3)4/h3-5,8-9,11-14,20,24-27,39H,6-7,10,15-19,33H2,1-2H3,(H,34,43)(H,35,42)(H,36,40)(H,37,41)(H,38,44);1H3,(H,3,4)/t24-,25+,26-,27-;/m0./s1
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4.73n/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)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027505
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C30H42N6O6.C2H4O2/c1-4-23(35-28(40)22(31)15-20-10-12-21(37)13-11-20)29(41)33-17-26(38)34-25(16-19-8-6-5-7-9-19)30(42)36-24(27(32)39)14-18(2)3;1-2(3)4/h5-13,18,22-25,37H,4,14-17,31H2,1-3H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)(H,36,42);1H3,(H,3,4)/t22-,23+,24-,25-;/m0./s1
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5.60n/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)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86257
PNG
(CAS_141801-26-5 | Endomorphin 2 | NSC_5311081)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)
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6.99n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Neurosci 18: 290-5 (2003)

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)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM21115
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@@H](Cc1ccccc1)C(=O)NC1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C36H46N6O5/c1-25(39-35(46)31(37)22-28-12-14-30(43)15-13-28)34(45)38-24-33(44)41-32(23-27-10-6-3-7-11-27)36(47)40-29-17-20-42(21-18-29)19-16-26-8-4-2-5-9-26/h2-15,25,29,31-32,43H,16-24,37H2,1H3,(H,38,45)(H,39,46)(H,40,47)(H,41,44)/t25-,31+,32+/m1/s1
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14 -10.7n/an/a 510n/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)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21115
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@@H](Cc1ccccc1)C(=O)NC1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C36H46N6O5/c1-25(39-35(46)31(37)22-28-12-14-30(43)15-13-28)34(45)38-24-33(44)41-32(23-27-10-6-3-7-11-27)36(47)40-29-17-20-42(21-18-29)19-16-26-8-4-2-5-9-26/h2-15,25,29,31-32,43H,16-24,37H2,1H3,(H,38,45)(H,39,46)(H,40,47)(H,41,44)/t25-,31+,32+/m1/s1
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14 -10.7n/an/a 125n/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)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027510
PNG
(Acetate1-(6-benzyl-3-isobutyl-2,5,8,11-tetraoxo-1,...)
Show SMILES CC(O)=O.CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C32H44N6O6.C2H4O2/c1-20(2)16-26-31(43)34-15-7-6-10-25(37-29(41)24(33)17-22-11-13-23(39)14-12-22)30(42)35-19-28(40)36-27(32(44)38-26)18-21-8-4-3-5-9-21;1-2(3)4/h3-5,8-9,11-14,20,24-27,39H,6-7,10,15-19,33H2,1-2H3,(H,34,43)(H,35,42)(H,36,40)(H,37,41)(H,38,44);1H3,(H,3,4)/t24-,25+,26-,27-;/m0./s1
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15n/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)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027506
PNG
(Acetate1-(3-benzyl-2,5,8-trioxo-1,4,7triaza-cyclot...)
Show SMILES CC(O)=O.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
Show InChI InChI=1S/C26H33N5O5.C2H4O2/c27-20(14-18-9-11-19(32)12-10-18)24(34)31-21-8-4-5-13-28-26(36)22(15-17-6-2-1-3-7-17)30-23(33)16-29-25(21)35;1-2(3)4/h1-3,6-7,9-12,20-22,32H,4-5,8,13-16,27H2,(H,28,36)(H,29,35)(H,30,33)(H,31,34);1H3,(H,3,4)/t20-,21+,22-;/m0./s1
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44.7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 25: 1432-8 (1983)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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300n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells


Bioorg Med Chem Lett 20: 4080-4 (2010)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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300 -8.89n/an/a 190n/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)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM82064
PNG
(CAS_79805-24-6 | NSC_16219643 | beta-Casomorphin)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(N)=O
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)
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1.16E+3n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50083735
PNG
((R)-2-Amino-N-[(R)-6-(4-hydroxy-benzyl)-3-methyl-2...)
Show SMILES C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C27H35N5O5/c1-17-24(34)29-14-6-5-9-22(31-25(35)21(28)15-18-7-3-2-4-8-18)26(36)32-23(27(37)30-17)16-19-10-12-20(33)13-11-19/h2-4,7-8,10-13,17,21-23,33H,5-6,9,14-16,28H2,1H3,(H,29,34)(H,30,37)(H,31,35)(H,32,36)/t17-,21+,22+,23-/m0/s1
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n/an/a 1.83E+3n/an/an/an/an/an/a



University of Louisville

Curated by ChEMBL


Assay Description
In vitro mu opioid activity was determined by its ability to inhibit the electrically induced contractions of smooth muscle preparations in guinea pi...


Bioorg Med Chem Lett 9: 3441-6 (2000)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50027506
PNG
(Acetate1-(3-benzyl-2,5,8-trioxo-1,4,7triaza-cyclot...)
Show SMILES CC(O)=O.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
Show InChI InChI=1S/C26H33N5O5.C2H4O2/c27-20(14-18-9-11-19(32)12-10-18)24(34)31-21-8-4-5-13-28-26(36)22(15-17-6-2-1-3-7-17)30-23(33)16-29-25(21)35;1-2(3)4/h1-3,6-7,9-12,20-22,32H,4-5,8,13-16,27H2,(H,28,36)(H,29,35)(H,30,33)(H,31,34);1H3,(H,3,4)/t20-,21+,22-;/m0./s1
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n/an/a 7.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor mu 1 in the guinea pig ileum assay


J Med Chem 25: 1432-8 (1983)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027506
PNG
(Acetate1-(3-benzyl-2,5,8-trioxo-1,4,7triaza-cyclot...)
Show SMILES CC(O)=O.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
Show InChI InChI=1S/C26H33N5O5.C2H4O2/c27-20(14-18-9-11-19(32)12-10-18)24(34)31-21-8-4-5-13-28-26(36)22(15-17-6-2-1-3-7-17)30-23(33)16-29-25(21)35;1-2(3)4/h1-3,6-7,9-12,20-22,32H,4-5,8,13-16,27H2,(H,28,36)(H,29,35)(H,30,33)(H,31,34);1H3,(H,3,4)/t20-,21+,22-;/m0./s1
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n/an/a 5.60n/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)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027506
PNG
(Acetate1-(3-benzyl-2,5,8-trioxo-1,4,7triaza-cyclot...)
Show SMILES CC(O)=O.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
Show InChI InChI=1S/C26H33N5O5.C2H4O2/c27-20(14-18-9-11-19(32)12-10-18)24(34)31-21-8-4-5-13-28-26(36)22(15-17-6-2-1-3-7-17)30-23(33)16-29-25(21)35;1-2(3)4/h1-3,6-7,9-12,20-22,32H,4-5,8,13-16,27H2,(H,28,36)(H,29,35)(H,30,33)(H,31,34);1H3,(H,3,4)/t20-,21+,22-;/m0./s1
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n/an/a 98n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 25: 1432-8 (1983)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027510
PNG
(Acetate1-(6-benzyl-3-isobutyl-2,5,8,11-tetraoxo-1,...)
Show SMILES CC(O)=O.CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C32H44N6O6.C2H4O2/c1-20(2)16-26-31(43)34-15-7-6-10-25(37-29(41)24(33)17-22-11-13-23(39)14-12-22)30(42)35-19-28(40)36-27(32(44)38-26)18-21-8-4-3-5-9-21;1-2(3)4/h3-5,8-9,11-14,20,24-27,39H,6-7,10,15-19,33H2,1-2H3,(H,34,43)(H,35,42)(H,36,40)(H,37,41)(H,38,44);1H3,(H,3,4)/t24-,25+,26-,27-;/m0./s1
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n/an/a 22n/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)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027505
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C30H42N6O6.C2H4O2/c1-4-23(35-28(40)22(31)15-20-10-12-21(37)13-11-20)29(41)33-17-26(38)34-25(16-19-8-6-5-7-9-19)30(42)36-24(27(32)39)14-18(2)3;1-2(3)4/h5-13,18,22-25,37H,4,14-17,31H2,1-3H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)(H,36,42);1H3,(H,3,4)/t22-,23+,24-,25-;/m0./s1
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n/an/a 8.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 25: 1432-8 (1983)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50027512
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C32H46N6O6.C2H4O2/c1-4-5-11-25(37-30(42)24(33)17-22-12-14-23(39)15-13-22)31(43)35-19-28(40)36-27(18-21-9-7-6-8-10-21)32(44)38-26(29(34)41)16-20(2)3;1-2(3)4/h6-10,12-15,20,24-27,39H,4-5,11,16-19,33H2,1-3H3,(H2,34,41)(H,35,43)(H,36,40)(H,37,42)(H,38,44);1H3,(H,3,4)/t24-,25+,26-,27-;/m0./s1
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor mu 1 in the guinea pig ileum assay


J Med Chem 25: 1432-8 (1983)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027508
PNG
(Acetate1-(6-benzyl-3-isobutyl-2,5,8,11-tetraoxo-1,...)
Show SMILES CC(O)=O.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.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t18-,22+,23+,24+;/m1./s1
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n/an/a 22.4n/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)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50027510
PNG
(Acetate1-(6-benzyl-3-isobutyl-2,5,8,11-tetraoxo-1,...)
Show SMILES CC(O)=O.CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C32H44N6O6.C2H4O2/c1-20(2)16-26-31(43)34-15-7-6-10-25(37-29(41)24(33)17-22-11-13-23(39)14-12-22)30(42)35-19-28(40)36-27(32(44)38-26)18-21-8-4-3-5-9-21;1-2(3)4/h3-5,8-9,11-14,20,24-27,39H,6-7,10,15-19,33H2,1-2H3,(H,34,43)(H,35,42)(H,36,40)(H,37,41)(H,38,44);1H3,(H,3,4)/t24-,25+,26-,27-;/m0./s1
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n/an/a 17.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor delta 1 in the mouse vas deferens assay


J Med Chem 25: 1432-8 (1983)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50027506
PNG
(Acetate1-(3-benzyl-2,5,8-trioxo-1,4,7triaza-cyclot...)
Show SMILES CC(O)=O.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
Show InChI InChI=1S/C26H33N5O5.C2H4O2/c27-20(14-18-9-11-19(32)12-10-18)24(34)31-21-8-4-5-13-28-26(36)22(15-17-6-2-1-3-7-17)30-23(33)16-29-25(21)35;1-2(3)4/h1-3,6-7,9-12,20-22,32H,4-5,8,13-16,27H2,(H,28,36)(H,29,35)(H,30,33)(H,31,34);1H3,(H,3,4)/t20-,21+,22-;/m0./s1
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n/an/a 33.8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor delta 1 in the mouse vas deferens assay


J Med Chem 25: 1432-8 (1983)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50083735
PNG
((R)-2-Amino-N-[(R)-6-(4-hydroxy-benzyl)-3-methyl-2...)
Show SMILES C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C27H35N5O5/c1-17-24(34)29-14-6-5-9-22(31-25(35)21(28)15-18-7-3-2-4-8-18)26(36)32-23(27(37)30-17)16-19-10-12-20(33)13-11-19/h2-4,7-8,10-13,17,21-23,33H,5-6,9,14-16,28H2,1H3,(H,29,34)(H,30,37)(H,31,35)(H,32,36)/t17-,21+,22+,23-/m0/s1
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n/an/a 9.33E+3n/an/an/an/an/an/a



University of Louisville

Curated by ChEMBL


Assay Description
In vitro delta opioid activity was determined by its ability to inhibit the electrically induced contractions of smooth muscle preparations in mouse ...


Bioorg Med Chem Lett 9: 3441-6 (2000)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027510
PNG
(Acetate1-(6-benzyl-3-isobutyl-2,5,8,11-tetraoxo-1,...)
Show SMILES CC(O)=O.CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C32H44N6O6.C2H4O2/c1-20(2)16-26-31(43)34-15-7-6-10-25(37-29(41)24(33)17-22-11-13-23(39)14-12-22)30(42)35-19-28(40)36-27(32(44)38-26)18-21-8-4-3-5-9-21;1-2(3)4/h3-5,8-9,11-14,20,24-27,39H,6-7,10,15-19,33H2,1-2H3,(H,34,43)(H,35,42)(H,36,40)(H,37,41)(H,38,44);1H3,(H,3,4)/t24-,25+,26-,27-;/m0./s1
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n/an/a 47.8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 25: 1432-8 (1983)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50083734
PNG
(2-Amino-N-[(R)-6-(4-hydroxy-benzyl)-3-methyl-2,5,8...)
Show SMILES C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H35N5O5/c1-17-24(34)29-14-6-5-9-22(31-25(35)21(28)15-19-10-12-20(33)13-11-19)26(36)32-23(27(37)30-17)16-18-7-3-2-4-8-18/h2-4,7-8,10-13,17,21-23,33H,5-6,9,14-16,28H2,1H3,(H,29,34)(H,30,37)(H,31,35)(H,32,36)/t17-,21-,22+,23-/m0/s1
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n/an/a 367n/an/an/an/an/an/a



University of Louisville

Curated by ChEMBL


Assay Description
In vitro delta opioid activity was determined by its ability to inhibit the electrically induced contractions of smooth muscle preparations in mouse ...


Bioorg Med Chem Lett 9: 3441-6 (2000)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50027508
PNG
(Acetate1-(6-benzyl-3-isobutyl-2,5,8,11-tetraoxo-1,...)
Show SMILES CC(O)=O.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.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t18-,22+,23+,24+;/m1./s1
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n/an/a 141n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor delta 1 in mouse vas deferens assay


J Med Chem 25: 1432-8 (1983)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50027512
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C32H46N6O6.C2H4O2/c1-4-5-11-25(37-30(42)24(33)17-22-12-14-23(39)15-13-22)31(43)35-19-28(40)36-27(18-21-9-7-6-8-10-21)32(44)38-26(29(34)41)16-20(2)3;1-2(3)4/h6-10,12-15,20,24-27,39H,4-5,11,16-19,33H2,1-3H3,(H2,34,41)(H,35,43)(H,36,40)(H,37,42)(H,38,44);1H3,(H,3,4)/t24-,25+,26-,27-;/m0./s1
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n/an/a 25.2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor delta 1 in the mouse vas deferens assay


J Med Chem 25: 1432-8 (1983)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50083729
PNG
(2-Amino-N-((R)-6-benzyl-3-methyl-2,5,8-trioxo-1,4,...)
Show SMILES C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C27H35N5O5/c1-17-24(34)29-14-6-5-9-22(31-25(35)21(28)15-18-7-3-2-4-8-18)26(36)32-23(27(37)30-17)16-19-10-12-20(33)13-11-19/h2-4,7-8,10-13,17,21-23,33H,5-6,9,14-16,28H2,1H3,(H,29,34)(H,30,37)(H,31,35)(H,32,36)/t17-,21-,22+,23-/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



University of Louisville

Curated by ChEMBL


Assay Description
In vitro delta opioid activity was determined by its ability to inhibit the electrically induced contractions of smooth muscle preparations in mouse ...


Bioorg Med Chem Lett 9: 3441-6 (2000)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027512
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C32H46N6O6.C2H4O2/c1-4-5-11-25(37-30(42)24(33)17-22-12-14-23(39)15-13-22)31(43)35-19-28(40)36-27(18-21-9-7-6-8-10-21)32(44)38-26(29(34)41)16-20(2)3;1-2(3)4/h6-10,12-15,20,24-27,39H,4-5,11,16-19,33H2,1-3H3,(H2,34,41)(H,35,43)(H,36,40)(H,37,42)(H,38,44);1H3,(H,3,4)/t24-,25+,26-,27-;/m0./s1
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n/an/a 9.57n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 25: 1432-8 (1983)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50027505
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C30H42N6O6.C2H4O2/c1-4-23(35-28(40)22(31)15-20-10-12-21(37)13-11-20)29(41)33-17-26(38)34-25(16-19-8-6-5-7-9-19)30(42)36-24(27(32)39)14-18(2)3;1-2(3)4/h5-13,18,22-25,37H,4,14-17,31H2,1-3H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)(H,36,42);1H3,(H,3,4)/t22-,23+,24-,25-;/m0./s1
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n/an/a 45.6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor delta 1 in mouse vas deferens assay


J Med Chem 25: 1432-8 (1983)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027508
PNG
(Acetate1-(6-benzyl-3-isobutyl-2,5,8,11-tetraoxo-1,...)
Show SMILES CC(O)=O.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.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t18-,22+,23+,24+;/m1./s1
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n/an/a 32.2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 25: 1432-8 (1983)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027505
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C30H42N6O6.C2H4O2/c1-4-23(35-28(40)22(31)15-20-10-12-21(37)13-11-20)29(41)33-17-26(38)34-25(16-19-8-6-5-7-9-19)30(42)36-24(27(32)39)14-18(2)3;1-2(3)4/h5-13,18,22-25,37H,4,14-17,31H2,1-3H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)(H,36,42);1H3,(H,3,4)/t22-,23+,24-,25-;/m0./s1
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n/an/a 10.1n/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)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


Bioorg Med Chem Lett 20: 4080-4 (2010)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Bioorg Med Chem Lett 20: 4080-4 (2010)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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n/an/a 47n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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n/an/an/an/a 13n/an/an/an/a


TBA

Assay Description
Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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n/an/a 724n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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n/an/an/an/a 190n/an/an/an/a


TBA

Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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Article
n/an/an/an/a 13n/an/an/an/a


TBA

Assay Description
Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


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Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21123
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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells


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Ligand-Target Pair
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