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56 similar compounds to monomer 50009152

Compile data set for download or QSAR
Wt: 568.6
BDBM21124
Purchase
Wt: 568.6
BDBM50452137
Wt: 640.7
BDBM50027503
Wt: 540.6
BDBM50021202
Wt: 504.5
BDBM50021198
Wt: 1077.1
BDBM50021199
Wt: 1077.1
BDBM50021200
Wt: 538.5
BDBM50021204
Wt: 821.9
BDBM50001463
Wt: 821.9
BDBM50001457
Wt: 538.5
BDBM50001467
Wt: 807.9
BDBM50001469
Wt: 725.8
BDBM50009677
Wt: 781.8
BDBM50009183
Wt: 962.0
BDBM50013349
Displayed 1 to 15 (of 56 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 48 hits for monomerid = 21124,50452137,50027503,50021202,50021198,50021199,50021200,50021204,50001463,50001457,50001467,50001469,50009677,50009183,50013349   
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
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)


Article DOI: 10.1021/jm061465o
BindingDB Entry DOI: 10.7270/Q2D50K8P
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001463
PNG
(14-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H59N9O9/c1-23(2)34(40(58)45-22-32(43)52)50-41(59)35(24(3)4)49-38(56)30-17-18-33(53)44-19-9-8-12-29(46-36(54)28(42)20-26-13-15-27(51)16-14-26)37(55)48-31(39(57)47-30)21-25-10-6-5-7-11-25/h5-7,10-11,13-16,23-24,28-31,34-35,51H,8-9,12,17-22,42H2,1-4H3,(H2,43,52)(H,44,53)(H,45,58)(H,46,54)(H,47,57)(H,48,55)(H,49,56)(H,50,59)/t28-,29+,30-,31-,34-,35-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to delta receptor 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))
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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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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021204
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC(=O)NCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C27H34N6O6/c28-19(13-17-8-10-18(34)11-9-17)25(37)32-22-15-23(35)30-12-4-7-20(24(29)36)31-26(38)21(33-27(22)39)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-22,34H,4,7,12-15,28H2,(H2,29,36)(H,30,35)(H,31,38)(H,32,37)(H,33,39)/t19-,20-,21-,22-/m0/s1
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9.60n/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))
BDBM50001467
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C27H34N6O6/c28-19(13-17-8-10-18(34)11-9-17)25(37)31-20-7-4-12-30-23(35)15-21(24(29)36)32-27(39)22(33-26(20)38)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-22,34H,4,7,12-15,28H2,(H2,29,36)(H,30,35)(H,31,37)(H,32,39)(H,33,38)/t19-,20+,21-,22-/m0/s1
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10n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 in rat brain membrane using [3H]-DAGO as radioligand


J Med Chem 30: 2094-9 (1987)


Article DOI: 10.1021/jm00394a027
BindingDB Entry DOI: 10.7270/Q2416W24
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001467
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C27H34N6O6/c28-19(13-17-8-10-18(34)11-9-17)25(37)31-20-7-4-12-30-23(35)15-21(24(29)36)32-27(39)22(33-26(20)38)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-22,34H,4,7,12-15,28H2,(H2,29,36)(H,30,35)(H,31,37)(H,32,39)(H,33,38)/t19-,20+,21-,22-/m0/s1
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10n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to mu receptor 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))
BDBM50027503
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](CCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C30H40N6O6.C2H4O2/c1-18(2)14-24-29(41)32-13-12-23(35-27(39)22(31)15-20-8-10-21(37)11-9-20)28(40)33-17-26(38)34-25(30(42)36-24)16-19-6-4-3-5-7-19;1-2(3)4/h3-11,18,22-25,37H,12-17,31H2,1-2H3,(H,32,41)(H,33,40)(H,34,38)(H,35,39)(H,36,42);1H3,(H,3,4)/t22-,23+,24-,25+;/m0./s1
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14n/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001463
PNG
(14-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H59N9O9/c1-23(2)34(40(58)45-22-32(43)52)50-41(59)35(24(3)4)49-38(56)30-17-18-33(53)44-19-9-8-12-29(46-36(54)28(42)20-26-13-15-27(51)16-14-26)37(55)48-31(39(57)47-30)21-25-10-6-5-7-11-25/h5-7,10-11,13-16,23-24,28-31,34-35,51H,8-9,12,17-22,42H2,1-4H3,(H2,43,52)(H,44,53)(H,45,58)(H,46,54)(H,47,57)(H,48,55)(H,49,56)(H,50,59)/t28-,29+,30-,31-,34-,35-/m0/s1
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18n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to mu receptor 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))
BDBM50021200
PNG
(12,25-Bis-[2-amino-3-(4-hydroxy-phenyl)-propionyla...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C54H68N12O12/c55-37(25-33-15-19-35(67)20-16-33)49(73)61-39-13-7-23-60-46(70)30-42(48(58)72)64-54(78)44(28-32-11-5-2-6-12-32)66-52(76)40(62-50(74)38(56)26-34-17-21-36(68)22-18-34)14-8-24-59-45(69)29-41(47(57)71)63-53(77)43(65-51(39)75)27-31-9-3-1-4-10-31/h1-6,9-12,15-22,37-44,67-68H,7-8,13-14,23-30,55-56H2,(H2,57,71)(H2,58,72)(H,59,69)(H,60,70)(H,61,73)(H,62,74)(H,63,77)(H,64,78)(H,65,75)(H,66,76)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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26n/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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50021200
PNG
(12,25-Bis-[2-amino-3-(4-hydroxy-phenyl)-propionyla...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C54H68N12O12/c55-37(25-33-15-19-35(67)20-16-33)49(73)61-39-13-7-23-60-46(70)30-42(48(58)72)64-54(78)44(28-32-11-5-2-6-12-32)66-52(76)40(62-50(74)38(56)26-34-17-21-36(68)22-18-34)14-8-24-59-45(69)29-41(47(57)71)63-53(77)43(65-51(39)75)27-31-9-3-1-4-10-31/h1-6,9-12,15-22,37-44,67-68H,7-8,13-14,23-30,55-56H2,(H2,57,71)(H2,58,72)(H,59,69)(H,60,70)(H,61,73)(H,62,74)(H,63,77)(H,64,78)(H,65,75)(H,66,76)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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42n/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021202
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-N*...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C27H36N6O6/c1-15(2)23(24(30)36)33-27(39)20(13-16-6-4-3-5-7-16)32-26(38)21(14-22(29)35)31-25(37)19(28)12-17-8-10-18(34)11-9-17/h3-11,15,19-21,23,34H,12-14,28H2,1-2H3,(H2,29,35)(H2,30,36)(H,31,37)(H,32,38)(H,33,39)/t19-,20-,21-,23-/m0/s1
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43n/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))
BDBM50021199
PNG
(12,25-Bis-[2-amino-3-(4-hydroxy-phenyl)-propionyla...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC(=O)NCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)NCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C54H68N12O12/c55-37(25-33-15-19-35(67)20-16-33)49(73)63-43-29-45(69)59-24-8-14-40(48(58)72)62-52(76)42(28-32-11-5-2-6-12-32)66-54(78)44(64-50(74)38(56)26-34-17-21-36(68)22-18-34)30-46(70)60-23-7-13-39(47(57)71)61-51(75)41(65-53(43)77)27-31-9-3-1-4-10-31/h1-6,9-12,15-22,37-44,67-68H,7-8,13-14,23-30,55-56H2,(H2,57,71)(H2,58,72)(H,59,69)(H,60,70)(H,61,75)(H,62,76)(H,63,73)(H,64,74)(H,65,77)(H,66,78)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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86n/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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027503
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](CCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C30H40N6O6.C2H4O2/c1-18(2)14-24-29(41)32-13-12-23(35-27(39)22(31)15-20-8-10-21(37)11-9-20)28(40)33-17-26(38)34-25(30(42)36-24)16-19-6-4-3-5-7-19;1-2(3)4/h3-11,18,22-25,37H,12-17,31H2,1-2H3,(H,32,41)(H,33,40)(H,34,38)(H,35,39)(H,36,42);1H3,(H,3,4)/t22-,23+,24-,25+;/m0./s1
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115n/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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50021199
PNG
(12,25-Bis-[2-amino-3-(4-hydroxy-phenyl)-propionyla...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC(=O)NCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)NCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C54H68N12O12/c55-37(25-33-15-19-35(67)20-16-33)49(73)63-43-29-45(69)59-24-8-14-40(48(58)72)62-52(76)42(28-32-11-5-2-6-12-32)66-54(78)44(64-50(74)38(56)26-34-17-21-36(68)22-18-34)30-46(70)60-23-7-13-39(47(57)71)61-51(75)41(65-53(43)77)27-31-9-3-1-4-10-31/h1-6,9-12,15-22,37-44,67-68H,7-8,13-14,23-30,55-56H2,(H2,57,71)(H2,58,72)(H,59,69)(H,60,70)(H,61,75)(H,62,76)(H,63,73)(H,64,74)(H,65,77)(H,66,78)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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129n/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001469
PNG
(15-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCC[C@@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C40H57N9O9/c1-21(2)32-39(57)45-28(34(42)52)12-9-17-43-31(51)20-30(38(56)48-33(22(3)4)40(58)49-32)47-37(55)29(19-24-10-7-6-8-11-24)46-35(53)23(5)44-36(54)27(41)18-25-13-15-26(50)16-14-25/h6-8,10-11,13-16,21-23,27-30,32-33,50H,9,12,17-20,41H2,1-5H3,(H2,42,52)(H,43,51)(H,44,54)(H,45,57)(H,46,53)(H,47,55)(H,48,56)(H,49,58)/t23-,27+,28-,29+,30+,32-,33+/m1/s1
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338n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to mu receptor 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))
BDBM50001469
PNG
(15-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCC[C@@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C40H57N9O9/c1-21(2)32-39(57)45-28(34(42)52)12-9-17-43-31(51)20-30(38(56)48-33(22(3)4)40(58)49-32)47-37(55)29(19-24-10-7-6-8-11-24)46-35(53)23(5)44-36(54)27(41)18-25-13-15-26(50)16-14-25/h6-8,10-11,13-16,21-23,27-30,32-33,50H,9,12,17-20,41H2,1-5H3,(H2,42,52)(H,43,51)(H,44,54)(H,45,57)(H,46,53)(H,47,55)(H,48,56)(H,49,58)/t23-,27+,28-,29+,30+,32-,33+/m1/s1
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562n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to delta receptor 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))
BDBM50001457
PNG
(17-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](CCC(=O)NCCCC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C41H59N9O9/c1-23(2)34-40(58)47-29(36(43)54)12-8-9-19-44-32(52)18-17-30(38(56)49-35(24(3)4)41(59)50-34)48-39(57)31(21-25-10-6-5-7-11-25)46-33(53)22-45-37(55)28(42)20-26-13-15-27(51)16-14-26/h5-7,10-11,13-16,23-24,28-31,34-35,51H,8-9,12,17-22,42H2,1-4H3,(H2,43,54)(H,44,52)(H,45,55)(H,46,53)(H,47,58)(H,48,57)(H,49,56)(H,50,59)/t28-,29-,30+,31-,34-,35+/m0/s1
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724n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to delta receptor 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))
BDBM50001457
PNG
(17-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](CCC(=O)NCCCC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C41H59N9O9/c1-23(2)34-40(58)47-29(36(43)54)12-8-9-19-44-32(52)18-17-30(38(56)49-35(24(3)4)41(59)50-34)48-39(57)31(21-25-10-6-5-7-11-25)46-33(53)22-45-37(55)28(42)20-26-13-15-27(51)16-14-26/h5-7,10-11,13-16,23-24,28-31,34-35,51H,8-9,12,17-22,42H2,1-4H3,(H2,43,54)(H,44,52)(H,45,55)(H,46,53)(H,47,58)(H,48,57)(H,49,56)(H,50,59)/t28-,29-,30+,31-,34-,35+/m0/s1
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955n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DAMGO binding to mu receptor 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))
BDBM50021204
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC(=O)NCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C27H34N6O6/c28-19(13-17-8-10-18(34)11-9-17)25(37)32-22-15-23(35)30-12-4-7-20(24(29)36)31-26(38)21(33-27(22)39)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-22,34H,4,7,12-15,28H2,(H2,29,36)(H,30,35)(H,31,38)(H,32,37)(H,33,39)/t19-,20-,21-,22-/m0/s1
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1.32E+3n/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))
BDBM50001467
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C27H34N6O6/c28-19(13-17-8-10-18(34)11-9-17)25(37)31-20-7-4-12-30-23(35)15-21(24(29)36)32-27(39)22(33-26(20)38)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-22,34H,4,7,12-15,28H2,(H2,29,36)(H,30,35)(H,31,37)(H,32,39)(H,33,38)/t19-,20+,21-,22-/m0/s1
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2.22E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]- ]DSLET binding to delta receptor 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))
BDBM50001467
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C27H34N6O6/c28-19(13-17-8-10-18(34)11-9-17)25(37)31-20-7-4-12-30-23(35)15-21(24(29)36)32-27(39)22(33-26(20)38)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-22,34H,4,7,12-15,28H2,(H2,29,36)(H,30,35)(H,31,37)(H,32,39)(H,33,38)/t19-,20+,21-,22-/m0/s1
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2.22E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DSLET binding to rat brain membrane Opioid receptor delta 1


J Med Chem 30: 2094-9 (1987)


Article DOI: 10.1021/jm00394a027
BindingDB Entry DOI: 10.7270/Q2416W24
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50021202
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-N*...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C27H36N6O6/c1-15(2)23(24(30)36)33-27(39)20(13-16-6-4-3-5-7-16)32-26(38)21(14-22(29)35)31-25(37)19(28)12-17-8-10-18(34)11-9-17/h3-11,15,19-21,23,34H,12-14,28H2,1-2H3,(H2,29,35)(H2,30,36)(H,31,37)(H,32,38)(H,33,39)/t19-,20-,21-,23-/m0/s1
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2.76E+3n/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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50009677
PNG
(4-Amino-N-[3-(4-amino-butyrylamino)-propyl]-N-{3-[...)
Show SMILES NCCCC(=O)NCCCN(CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN
Show InChI InChI=1S/C36H55N9O7/c37-16-4-10-31(47)40-18-6-20-45(34(50)11-5-17-38)21-7-19-41-36(52)30(23-26-8-2-1-3-9-26)44-33(49)25-42-32(48)24-43-35(51)29(39)22-27-12-14-28(46)15-13-27/h1-3,8-9,12-15,29-30,46H,4-7,10-11,16-25,37-39H2,(H,40,47)(H,41,52)(H,42,48)(H,43,51)(H,44,49)/t29-,30-/m0/s1
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5.51E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards opioid receptor kappa in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021198
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=O)C[C@H](NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C24H36N6O6/c1-13(2)10-19-24(36)29-18(21(26)33)12-20(32)27-9-3-4-17(23(35)30-19)28-22(34)16(25)11-14-5-7-15(31)8-6-14/h5-8,13,16-19,31H,3-4,9-12,25H2,1-2H3,(H2,26,33)(H,27,32)(H,28,34)(H,29,36)(H,30,35)/t16-,17-,18-,19-/m0/s1
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6.80E+3n/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
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009677
PNG
(4-Amino-N-[3-(4-amino-butyrylamino)-propyl]-N-{3-[...)
Show SMILES NCCCC(=O)NCCCN(CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN
Show InChI InChI=1S/C36H55N9O7/c37-16-4-10-31(47)40-18-6-20-45(34(50)11-5-17-38)21-7-19-41-36(52)30(23-26-8-2-1-3-9-26)44-33(49)25-42-32(48)24-43-35(51)29(39)22-27-12-14-28(46)15-13-27/h1-3,8-9,12-15,29-30,46H,4-7,10-11,16-25,37-39H2,(H,40,47)(H,41,52)(H,42,48)(H,43,51)(H,44,49)/t29-,30-/m0/s1
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7.30E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards opioid receptor mu in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50021198
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=O)C[C@H](NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C24H36N6O6/c1-13(2)10-19-24(36)29-18(21(26)33)12-20(32)27-9-3-4-17(23(35)30-19)28-22(34)16(25)11-14-5-7-15(31)8-6-14/h5-8,13,16-19,31H,3-4,9-12,25H2,1-2H3,(H2,26,33)(H,27,32)(H,28,34)(H,29,36)(H,30,35)/t16-,17-,18-,19-/m0/s1
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8.16E+3n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50009677
PNG
(4-Amino-N-[3-(4-amino-butyrylamino)-propyl]-N-{3-[...)
Show SMILES NCCCC(=O)NCCCN(CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN
Show InChI InChI=1S/C36H55N9O7/c37-16-4-10-31(47)40-18-6-20-45(34(50)11-5-17-38)21-7-19-41-36(52)30(23-26-8-2-1-3-9-26)44-33(49)25-42-32(48)24-43-35(51)29(39)22-27-12-14-28(46)15-13-27/h1-3,8-9,12-15,29-30,46H,4-7,10-11,16-25,37-39H2,(H,40,47)(H,41,52)(H,42,48)(H,43,51)(H,44,49)/t29-,30-/m0/s1
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8.43E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards Opioid receptor delta 1 in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027503
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](CCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C30H40N6O6.C2H4O2/c1-18(2)14-24-29(41)32-13-12-23(35-27(39)22(31)15-20-8-10-21(37)11-9-20)28(40)33-17-26(38)34-25(30(42)36-24)16-19-6-4-3-5-7-19;1-2(3)4/h3-11,18,22-25,37H,12-17,31H2,1-2H3,(H,32,41)(H,33,40)(H,34,38)(H,35,39)(H,36,42);1H3,(H,3,4)/t22-,23+,24-,25+;/m0./s1
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n/an/a 253n/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)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009183
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=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/C38H55N9O9/c1-20(2)31(37(55)42-19-30(41)50)47-38(56)32(21(3)4)46-35(53)27(15-16-29(40)49)44-36(54)28(18-23-9-7-6-8-10-23)45-33(51)22(5)43-34(52)26(39)17-24-11-13-25(48)14-12-24/h6-14,20-22,26-28,31-32,48H,15-19,39H2,1-5H3,(H2,40,49)(H2,41,50)(H,42,55)(H,43,52)(H,44,54)(H,45,51)(H,46,53)(H,47,56)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]DSLET (Opioid receptor delta 1-selective radioligand)


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009183
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=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/C38H55N9O9/c1-20(2)31(37(55)42-19-30(41)50)47-38(56)32(21(3)4)46-35(53)27(15-16-29(40)49)44-36(54)28(18-23-9-7-6-8-10-23)45-33(51)22(5)43-34(52)26(39)17-24-11-13-25(48)14-12-24/h6-14,20-22,26-28,31-32,48H,15-19,39H2,1-5H3,(H2,40,49)(H2,41,50)(H,42,55)(H,43,52)(H,44,54)(H,45,51)(H,46,53)(H,47,56)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in mouse vas deferens (MVD) assay mediated by Opioid receptor delta 1


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009183
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=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/C38H55N9O9/c1-20(2)31(37(55)42-19-30(41)50)47-38(56)32(21(3)4)46-35(53)27(15-16-29(40)49)44-36(54)28(18-23-9-7-6-8-10-23)45-33(51)22(5)43-34(52)26(39)17-24-11-13-25(48)14-12-24/h6-14,20-22,26-28,31-32,48H,15-19,39H2,1-5H3,(H2,40,49)(H2,41,50)(H,42,55)(H,43,52)(H,44,54)(H,45,51)(H,46,53)(H,47,56)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity in rat brain membrane preparations by the displacement of [3H]- DAGO


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027503
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](CCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C30H40N6O6.C2H4O2/c1-18(2)14-24-29(41)32-13-12-23(35-27(39)22(31)15-20-8-10-21(37)11-9-20)28(40)33-17-26(38)34-25(30(42)36-24)16-19-6-4-3-5-7-19;1-2(3)4/h3-11,18,22-25,37H,12-17,31H2,1-2H3,(H,32,41)(H,33,40)(H,34,38)(H,35,39)(H,36,42);1H3,(H,3,4)/t22-,23+,24-,25+;/m0./s1
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n/an/a 25n/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


(MOUSE)
BDBM50027503
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](CCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C30H40N6O6.C2H4O2/c1-18(2)14-24-29(41)32-13-12-23(35-27(39)22(31)15-20-8-10-21(37)11-9-20)28(40)33-17-26(38)34-25(30(42)36-24)16-19-6-4-3-5-7-19;1-2(3)4/h3-11,18,22-25,37H,12-17,31H2,1-2H3,(H,32,41)(H,33,40)(H,34,38)(H,35,39)(H,36,42);1H3,(H,3,4)/t22-,23+,24-,25+;/m0./s1
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n/an/a 81n/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)


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


(GUINEA PIG)
BDBM50001467
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C27H34N6O6/c28-19(13-17-8-10-18(34)11-9-17)25(37)31-20-7-4-12-30-23(35)15-21(24(29)36)32-27(39)22(33-26(20)38)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-22,34H,4,7,12-15,28H2,(H2,29,36)(H,30,35)(H,31,37)(H,32,39)(H,33,38)/t19-,20+,21-,22-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


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
Delta-type opioid receptor


(MOUSE)
BDBM50001467
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C27H34N6O6/c28-19(13-17-8-10-18(34)11-9-17)25(37)31-20-7-4-12-30-23(35)15-21(24(29)36)32-27(39)22(33-26(20)38)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-22,34H,4,7,12-15,28H2,(H2,29,36)(H,30,35)(H,31,37)(H,32,39)(H,33,38)/t19-,20+,21-,22-/m0/s1
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n/an/a 3.88E+3n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


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
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001469
PNG
(15-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCC[C@@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C40H57N9O9/c1-21(2)32-39(57)45-28(34(42)52)12-9-17-43-31(51)20-30(38(56)48-33(22(3)4)40(58)49-32)47-37(55)29(19-24-10-7-6-8-11-24)46-35(53)23(5)44-36(54)27(41)18-25-13-15-26(50)16-14-25/h6-8,10-11,13-16,21-23,27-30,32-33,50H,9,12,17-20,41H2,1-5H3,(H2,42,52)(H,43,51)(H,44,54)(H,45,57)(H,46,53)(H,47,55)(H,48,56)(H,49,58)/t23-,27+,28-,29+,30+,32-,33+/m1/s1
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n/an/a 251n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


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
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001463
PNG
(14-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H59N9O9/c1-23(2)34(40(58)45-22-32(43)52)50-41(59)35(24(3)4)49-38(56)30-17-18-33(53)44-19-9-8-12-29(46-36(54)28(42)20-26-13-15-27(51)16-14-26)37(55)48-31(39(57)47-30)21-25-10-6-5-7-11-25/h5-7,10-11,13-16,23-24,28-31,34-35,51H,8-9,12,17-22,42H2,1-4H3,(H2,43,52)(H,44,53)(H,45,58)(H,46,54)(H,47,57)(H,48,55)(H,49,56)(H,50,59)/t28-,29+,30-,31-,34-,35-/m0/s1
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n/an/a 102n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


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
Delta-type opioid receptor


(MOUSE)
BDBM50001469
PNG
(15-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCC[C@@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C40H57N9O9/c1-21(2)32-39(57)45-28(34(42)52)12-9-17-43-31(51)20-30(38(56)48-33(22(3)4)40(58)49-32)47-37(55)29(19-24-10-7-6-8-11-24)46-35(53)23(5)44-36(54)27(41)18-25-13-15-26(50)16-14-25/h6-8,10-11,13-16,21-23,27-30,32-33,50H,9,12,17-20,41H2,1-5H3,(H2,42,52)(H,43,51)(H,44,54)(H,45,57)(H,46,53)(H,47,55)(H,48,56)(H,49,58)/t23-,27+,28-,29+,30+,32-,33+/m1/s1
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n/an/a 91n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


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
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013349
PNG
(Ac-Tyr-Ala-Gly-Ala-Val-Val-Asn-Asp-Leu-NH2 | CHEMB...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C43H67N11O14/c1-19(2)14-27(36(45)61)50-41(66)30(17-33(59)60)51-40(65)29(16-31(44)57)52-42(67)34(20(3)4)54-43(68)35(21(5)6)53-38(63)23(8)47-32(58)18-46-37(62)22(7)48-39(64)28(49-24(9)55)15-25-10-12-26(56)13-11-25/h10-13,19-23,27-30,34-35,56H,14-18H2,1-9H3,(H2,44,57)(H2,45,61)(H,46,62)(H,47,58)(H,48,64)(H,49,55)(H,50,66)(H,51,65)(H,52,67)(H,53,63)(H,54,68)(H,59,60)/t22-,23-,27-,28-,29-,30-,34-,35-/m0/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001457
PNG
(17-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](CCC(=O)NCCCC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C41H59N9O9/c1-23(2)34-40(58)47-29(36(43)54)12-8-9-19-44-32(52)18-17-30(38(56)49-35(24(3)4)41(59)50-34)48-39(57)31(21-25-10-6-5-7-11-25)46-33(53)22-45-37(55)28(42)20-26-13-15-27(51)16-14-26/h5-7,10-11,13-16,23-24,28-31,34-35,51H,8-9,12,17-22,42H2,1-4H3,(H2,43,54)(H,44,52)(H,45,55)(H,46,53)(H,47,58)(H,48,57)(H,49,56)(H,50,59)/t28-,29-,30+,31-,34-,35+/m0/s1
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n/an/a 919n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


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
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013349
PNG
(Ac-Tyr-Ala-Gly-Ala-Val-Val-Asn-Asp-Leu-NH2 | CHEMB...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C43H67N11O14/c1-19(2)14-27(36(45)61)50-41(66)30(17-33(59)60)51-40(65)29(16-31(44)57)52-42(67)34(20(3)4)54-43(68)35(21(5)6)53-38(63)23(8)47-32(58)18-46-37(62)22(7)48-39(64)28(49-24(9)55)15-25-10-12-26(56)13-11-25/h10-13,19-23,27-30,34-35,56H,14-18H2,1-9H3,(H2,44,57)(H2,45,61)(H,46,62)(H,47,58)(H,48,64)(H,49,55)(H,50,66)(H,51,65)(H,52,67)(H,53,63)(H,54,68)(H,59,60)/t22-,23-,27-,28-,29-,30-,34-,35-/m0/s1
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n/an/a 7.60E+4n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001467
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C27H34N6O6/c28-19(13-17-8-10-18(34)11-9-17)25(37)31-20-7-4-12-30-23(35)15-21(24(29)36)32-27(39)22(33-26(20)38)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-22,34H,4,7,12-15,28H2,(H2,29,36)(H,30,35)(H,31,37)(H,32,39)(H,33,38)/t19-,20+,21-,22-/m0/s1
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n/an/a 3.88E+3n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibitory activity towards electrically induced contractions in mouse vas deferens expressing delta opioid receptor


J Med Chem 30: 2094-9 (1987)


Article DOI: 10.1021/jm00394a027
BindingDB Entry DOI: 10.7270/Q2416W24
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001467
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C27H34N6O6/c28-19(13-17-8-10-18(34)11-9-17)25(37)31-20-7-4-12-30-23(35)15-21(24(29)36)32-27(39)22(33-26(20)38)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-22,34H,4,7,12-15,28H2,(H2,29,36)(H,30,35)(H,31,37)(H,32,39)(H,33,38)/t19-,20+,21-,22-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibitory activity towards electrically induced contractions in guinea pig ileum expressing mu opioid receptor


J Med Chem 30: 2094-9 (1987)


Article DOI: 10.1021/jm00394a027
BindingDB Entry DOI: 10.7270/Q2416W24
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50027503
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](CCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C30H40N6O6.C2H4O2/c1-18(2)14-24-29(41)32-13-12-23(35-27(39)22(31)15-20-8-10-21(37)11-9-20)28(40)33-17-26(38)34-25(30(42)36-24)16-19-6-4-3-5-7-19;1-2(3)4/h3-11,18,22-25,37H,12-17,31H2,1-2H3,(H,32,41)(H,33,40)(H,34,38)(H,35,39)(H,36,42);1H3,(H,3,4)/t22-,23+,24-,25+;/m0./s1
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n/an/a 14n/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)


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


(MOUSE)
BDBM50452137
PNG
(CHEMBL2372195)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)C(C)(C)C
Show InChI InChI=1S/C29H40N6O6/c1-17(33-27(40)21(30)14-19-10-12-20(36)13-11-19)26(39)32-16-23(37)34-22(15-18-8-6-5-7-9-18)28(41)35-24(25(31)38)29(2,3)4/h5-13,17,21-22,24,36H,14-16,30H2,1-4H3,(H2,31,38)(H,32,39)(H,33,40)(H,34,37)(H,35,41)/t17-,21-,22-,24+/m0/s1
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n/an/a 9.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity contractions of electrically stimulated mouse vas deferens was determined


J Med Chem 25: 1428-31 (1983)


Article DOI: 10.1021/jm00354a007
BindingDB Entry DOI: 10.7270/Q2N87C0G
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009183
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=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/C38H55N9O9/c1-20(2)31(37(55)42-19-30(41)50)47-38(56)32(21(3)4)46-35(53)27(15-16-29(40)49)44-36(54)28(18-23-9-7-6-8-10-23)45-33(51)22(5)43-34(52)26(39)17-24-11-13-25(48)14-12-24/h6-14,20-22,26-28,31-32,48H,15-19,39H2,1-5H3,(H2,40,49)(H2,41,50)(H,42,55)(H,43,52)(H,44,54)(H,45,51)(H,46,53)(H,47,56)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in guinea pig ileum (GPI) assay mediated by Opioid receptor mu 1


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001457
PNG
(17-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](CCC(=O)NCCCC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C41H59N9O9/c1-23(2)34-40(58)47-29(36(43)54)12-8-9-19-44-32(52)18-17-30(38(56)49-35(24(3)4)41(59)50-34)48-39(57)31(21-25-10-6-5-7-11-25)46-33(53)22-45-37(55)28(42)20-26-13-15-27(51)16-14-26/h5-7,10-11,13-16,23-24,28-31,34-35,51H,8-9,12,17-22,42H2,1-4H3,(H2,43,54)(H,44,52)(H,45,55)(H,46,53)(H,47,58)(H,48,57)(H,49,56)(H,50,59)/t28-,29-,30+,31-,34-,35+/m0/s1
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n/an/a 3.88E+3n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in Guinea pig ileum


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
Delta-type opioid receptor


(MOUSE)
BDBM50001463
PNG
(14-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H59N9O9/c1-23(2)34(40(58)45-22-32(43)52)50-41(59)35(24(3)4)49-38(56)30-17-18-33(53)44-19-9-8-12-29(46-36(54)28(42)20-26-13-15-27(51)16-14-26)37(55)48-31(39(57)47-30)21-25-10-6-5-7-11-25/h5-7,10-11,13-16,23-24,28-31,34-35,51H,8-9,12,17-22,42H2,1-4H3,(H2,43,52)(H,44,53)(H,45,58)(H,46,54)(H,47,57)(H,48,55)(H,49,56)(H,50,59)/t28-,29+,30-,31-,34-,35-/m0/s1
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n/an/a 0.467n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contractions in mouse vas deferens


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