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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50030645   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299557
PNG
((S)-2-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C39H42N4O6/c1-24-17-30(44)18-25(2)31(24)22-32(40)38(47)43-23-29-16-10-9-15-28(29)21-35(43)37(46)41-33(19-26-11-5-3-6-12-26)36(45)42-34(39(48)49)20-27-13-7-4-8-14-27/h3-18,32-35,44H,19-23,40H2,1-2H3,(H,41,46)(H,42,45)(H,48,49)/t32-,33-,34-,35-/m0/s1
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0.248n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299558
PNG
(CHEMBL583488 | H-4'-carboxamido-2',6'-dimethylphen...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O |r|
Show InChI InChI=1S/C40H43N5O6/c1-24-17-30(36(42)46)18-25(2)31(24)22-32(41)39(49)45-23-29-16-10-9-15-28(29)21-35(45)38(48)43-33(19-26-11-5-3-6-12-26)37(47)44-34(40(50)51)20-27-13-7-4-8-14-27/h3-18,32-35H,19-23,41H2,1-2H3,(H2,42,46)(H,43,48)(H,44,47)(H,50,51)/t32-,33-,34-,35-/m0/s1
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0.501n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299559
PNG
(CHEMBL583285 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C43H42N4O5/c44-37(25-31-17-21-34(22-18-31)40(48)45-24-23-29-15-19-33(20-16-29)32-11-5-2-6-12-32)42(50)47-28-36-14-8-7-13-35(36)27-39(47)41(49)46-38(43(51)52)26-30-9-3-1-4-10-30/h1-22,37-39H,23-28,44H2,(H,45,48)(H,46,49)(H,51,52)/t37-,38-,39-/m0/s1
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0.536n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299560
PNG
(CHEMBL572542 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C52H51N5O6/c53-44(30-38-22-26-41(27-23-38)48(58)54-29-28-35-20-24-40(25-21-35)39-16-8-3-9-17-39)51(61)57-34-43-19-11-10-18-42(43)33-47(57)50(60)55-45(31-36-12-4-1-5-13-36)49(59)56-46(52(62)63)32-37-14-6-2-7-15-37/h1-27,44-47H,28-34,53H2,(H,54,58)(H,55,60)(H,56,59)(H,62,63)/t44-,45-,46-,47-/m0/s1
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0.605n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299561
PNG
(CHEMBL572543 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C34H33N3O4/c35-30(33(39)37-22-29-9-5-4-8-28(29)21-31(37)34(40)41)20-24-12-16-27(17-13-24)32(38)36-19-18-23-10-14-26(15-11-23)25-6-2-1-3-7-25/h1-17,30-31H,18-22,35H2,(H,36,38)(H,40,41)/t30-,31-/m0/s1
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0.646n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299562
PNG
(CHEMBL572494 | H-2',6'-dimethyl-4'-[N-((4'-phenyl)...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C54H55N5O6/c1-35-28-44(50(60)56-27-26-37-22-24-41(25-23-37)40-18-10-5-11-19-40)29-36(2)45(35)33-46(55)53(63)59-34-43-21-13-12-20-42(43)32-49(59)52(62)57-47(30-38-14-6-3-7-15-38)51(61)58-48(54(64)65)31-39-16-8-4-9-17-39/h3-25,28-29,46-49H,26-27,30-34,55H2,1-2H3,(H,56,60)(H,57,62)(H,58,61)(H,64,65)/t46-,47-,48-,49-/m0/s1
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0.783n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299563
PNG
(CHEMBL583487 | H-2',6'-dimethyl-4'-[N-((4'-phenyl)...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C36H37N3O4/c1-23-18-30(34(40)38-17-16-25-12-14-27(15-13-25)26-8-4-3-5-9-26)19-24(2)31(23)21-32(37)35(41)39-22-29-11-7-6-10-28(29)20-33(39)36(42)43/h3-15,18-19,32-33H,16-17,20-22,37H2,1-2H3,(H,38,40)(H,42,43)/t32-,33-/m0/s1
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0.825n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50068664
PNG
(2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C37H38N4O6/c38-30(19-26-15-17-29(42)18-16-26)36(45)41-23-28-14-8-7-13-27(28)22-33(41)35(44)39-31(20-24-9-3-1-4-10-24)34(43)40-32(37(46)47)21-25-11-5-2-6-12-25/h1-18,30-33,42H,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33-/m0/s1
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MCE
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1.22n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299565
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C21H24N2O4/c1-12-7-16(24)8-13(2)17(12)10-18(22)20(25)23-11-15-6-4-3-5-14(15)9-19(23)21(26)27/h3-8,18-19,24H,9-11,22H2,1-2H3,(H,26,27)/t18-,19-/m0/s1
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1.84n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299566
PNG
(CHEMBL583485 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C52H53N5O5/c53-46(30-39-22-26-42(27-23-39)49(58)54-29-28-36-20-24-41(25-21-36)40-16-8-3-9-17-40)51(60)57-35-44-19-11-10-18-43(44)33-45(57)34-55-47(31-37-12-4-1-5-13-37)50(59)56-48(52(61)62)32-38-14-6-2-7-15-38/h1-27,45-48,55H,28-35,53H2,(H,54,58)(H,56,59)(H,61,62)/t45-,46-,47-,48-/m0/s1
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2n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299567
PNG
(CHEMBL583486 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C52H59N5O5/c53-46(30-39-22-26-42(27-23-39)49(58)54-29-28-36-20-24-41(25-21-36)40-16-8-3-9-17-40)51(60)57-35-44-19-11-10-18-43(44)33-45(57)34-55-47(31-37-12-4-1-5-13-37)50(59)56-48(52(61)62)32-38-14-6-2-7-15-38/h2-3,6-11,14-27,37,45-48,55H,1,4-5,12-13,28-35,53H2,(H,54,58)(H,56,59)(H,61,62)/t45-,46-,47-,48-/m0/s1
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3.31n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299560
PNG
(CHEMBL572542 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C52H51N5O6/c53-44(30-38-22-26-41(27-23-38)48(58)54-29-28-35-20-24-40(25-21-35)39-16-8-3-9-17-39)51(61)57-34-43-19-11-10-18-42(43)33-47(57)50(60)55-45(31-36-12-4-1-5-13-36)49(59)56-46(52(62)63)32-37-14-6-2-7-15-37/h1-27,44-47H,28-34,53H2,(H,54,58)(H,55,60)(H,56,59)(H,62,63)/t44-,45-,46-,47-/m0/s1
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87.7n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299557
PNG
((S)-2-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C39H42N4O6/c1-24-17-30(44)18-25(2)31(24)22-32(40)38(47)43-23-29-16-10-9-15-28(29)21-35(43)37(46)41-33(19-26-11-5-3-6-12-26)36(45)42-34(39(48)49)20-27-13-7-4-8-14-27/h3-18,32-35,44H,19-23,40H2,1-2H3,(H,41,46)(H,42,45)(H,48,49)/t32-,33-,34-,35-/m0/s1
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141n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299562
PNG
(CHEMBL572494 | H-2',6'-dimethyl-4'-[N-((4'-phenyl)...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C54H55N5O6/c1-35-28-44(50(60)56-27-26-37-22-24-41(25-23-37)40-18-10-5-11-19-40)29-36(2)45(35)33-46(55)53(63)59-34-43-21-13-12-20-42(43)32-49(59)52(62)57-47(30-38-14-6-3-7-15-38)51(61)58-48(54(64)65)31-39-16-8-4-9-17-39/h3-25,28-29,46-49H,26-27,30-34,55H2,1-2H3,(H,56,60)(H,57,62)(H,58,61)(H,64,65)/t46-,47-,48-,49-/m0/s1
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142n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299559
PNG
(CHEMBL583285 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C43H42N4O5/c44-37(25-31-17-21-34(22-18-31)40(48)45-24-23-29-15-19-33(20-16-29)32-11-5-2-6-12-32)42(50)47-28-36-14-8-7-13-35(36)27-39(47)41(49)46-38(43(51)52)26-30-9-3-1-4-10-30/h1-22,37-39H,23-28,44H2,(H,45,48)(H,46,49)(H,51,52)/t37-,38-,39-/m0/s1
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173n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50060080
PNG
(2-({2-[(R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C19H20N2O4/c20-16(9-12-5-7-15(22)8-6-12)18(23)21-11-14-4-2-1-3-13(14)10-17(21)19(24)25/h1-8,16-17,22H,9-11,20H2,(H,24,25)/t16-,17-/m0/s1
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242n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50299560
PNG
(CHEMBL572542 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C52H51N5O6/c53-44(30-38-22-26-41(27-23-38)48(58)54-29-28-35-20-24-40(25-21-35)39-16-8-3-9-17-39)51(61)57-34-43-19-11-10-18-42(43)33-47(57)50(60)55-45(31-36-12-4-1-5-13-36)49(59)56-46(52(62)63)32-37-14-6-2-7-15-37/h1-27,44-47H,28-34,53H2,(H,54,58)(H,55,60)(H,56,59)(H,62,63)/t44-,45-,46-,47-/m0/s1
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270n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69-593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299566
PNG
(CHEMBL583485 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C52H53N5O5/c53-46(30-39-22-26-42(27-23-39)49(58)54-29-28-36-20-24-41(25-21-36)40-16-8-3-9-17-40)51(60)57-35-44-19-11-10-18-43(44)33-45(57)34-55-47(31-37-12-4-1-5-13-37)50(59)56-48(52(61)62)32-38-14-6-2-7-15-38/h1-27,45-48,55H,28-35,53H2,(H,54,58)(H,56,59)(H,61,62)/t45-,46-,47-,48-/m0/s1
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323n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299567
PNG
(CHEMBL583486 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C52H59N5O5/c53-46(30-39-22-26-42(27-23-39)49(58)54-29-28-36-20-24-41(25-21-36)40-16-8-3-9-17-40)51(60)57-35-44-19-11-10-18-43(44)33-45(57)34-55-47(31-37-12-4-1-5-13-37)50(59)56-48(52(61)62)32-38-14-6-2-7-15-38/h2-3,6-11,14-27,37,45-48,55H,1,4-5,12-13,28-35,53H2,(H,54,58)(H,56,59)(H,61,62)/t45-,46-,47-,48-/m0/s1
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334n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50299562
PNG
(CHEMBL572494 | H-2',6'-dimethyl-4'-[N-((4'-phenyl)...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C54H55N5O6/c1-35-28-44(50(60)56-27-26-37-22-24-41(25-23-37)40-18-10-5-11-19-40)29-36(2)45(35)33-46(55)53(63)59-34-43-21-13-12-20-42(43)32-49(59)52(62)57-47(30-38-14-6-3-7-15-38)51(61)58-48(54(64)65)31-39-16-8-4-9-17-39/h3-25,28-29,46-49H,26-27,30-34,55H2,1-2H3,(H,56,60)(H,57,62)(H,58,61)(H,64,65)/t46-,47-,48-,49-/m0/s1
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597n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69-593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299563
PNG
(CHEMBL583487 | H-2',6'-dimethyl-4'-[N-((4'-phenyl)...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C36H37N3O4/c1-23-18-30(34(40)38-17-16-25-12-14-27(15-13-25)26-8-4-3-5-9-26)19-24(2)31(23)21-32(37)35(41)39-22-29-11-7-6-10-28(29)20-33(39)36(42)43/h3-15,18-19,32-33H,16-17,20-22,37H2,1-2H3,(H,38,40)(H,42,43)/t32-,33-/m0/s1
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615n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50299558
PNG
(CHEMBL583488 | H-4'-carboxamido-2',6'-dimethylphen...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O |r|
Show InChI InChI=1S/C40H43N5O6/c1-24-17-30(36(42)46)18-25(2)31(24)22-32(41)39(49)45-23-29-16-10-9-15-28(29)21-35(45)38(48)43-33(19-26-11-5-3-6-12-26)37(47)44-34(40(50)51)20-27-13-7-4-8-14-27/h3-18,32-35H,19-23,41H2,1-2H3,(H2,42,46)(H,43,48)(H,44,47)(H,50,51)/t32-,33-,34-,35-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69-593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50299565
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C21H24N2O4/c1-12-7-16(24)8-13(2)17(12)10-18(22)20(25)23-11-15-6-4-3-5-14(15)9-19(23)21(26)27/h3-8,18-19,24H,9-11,22H2,1-2H3,(H,26,27)/t18-,19-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69-593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50299557
PNG
((S)-2-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C39H42N4O6/c1-24-17-30(44)18-25(2)31(24)22-32(40)38(47)43-23-29-16-10-9-15-28(29)21-35(43)37(46)41-33(19-26-11-5-3-6-12-26)36(45)42-34(39(48)49)20-27-13-7-4-8-14-27/h3-18,32-35,44H,19-23,40H2,1-2H3,(H,41,46)(H,42,45)(H,48,49)/t32-,33-,34-,35-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69-593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50060080
PNG
(2-({2-[(R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C19H20N2O4/c20-16(9-12-5-7-15(22)8-6-12)18(23)21-11-14-4-2-1-3-13(14)10-17(21)19(24)25/h1-8,16-17,22H,9-11,20H2,(H,24,25)/t16-,17-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50068664
PNG
(2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C37H38N4O6/c38-30(19-26-15-17-29(42)18-16-26)36(45)41-23-28-14-8-7-13-27(28)22-33(41)35(44)39-31(20-24-9-3-1-4-10-24)34(43)40-32(37(46)47)21-25-11-5-2-6-12-25/h1-18,30-33,42H,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69-593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50299566
PNG
(CHEMBL583485 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C52H53N5O5/c53-46(30-39-22-26-42(27-23-39)49(58)54-29-28-36-20-24-41(25-21-36)40-16-8-3-9-17-40)51(60)57-35-44-19-11-10-18-43(44)33-45(57)34-55-47(31-37-12-4-1-5-13-37)50(59)56-48(52(61)62)32-38-14-6-2-7-15-38/h1-27,45-48,55H,28-35,53H2,(H,54,58)(H,56,59)(H,61,62)/t45-,46-,47-,48-/m0/s1
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1.24E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69-593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299565
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C21H24N2O4/c1-12-7-16(24)8-13(2)17(12)10-18(22)20(25)23-11-15-6-4-3-5-14(15)9-19(23)21(26)27/h3-8,18-19,24H,9-11,22H2,1-2H3,(H,26,27)/t18-,19-/m0/s1
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1.36E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50299559
PNG
(CHEMBL583285 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C43H42N4O5/c44-37(25-31-17-21-34(22-18-31)40(48)45-24-23-29-15-19-33(20-16-29)32-11-5-2-6-12-32)42(50)47-28-36-14-8-7-13-35(36)27-39(47)41(49)46-38(43(51)52)26-30-9-3-1-4-10-30/h1-22,37-39H,23-28,44H2,(H,45,48)(H,46,49)(H,51,52)/t37-,38-,39-/m0/s1
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1.58E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69-593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50299567
PNG
(CHEMBL583486 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C52H59N5O5/c53-46(30-39-22-26-42(27-23-39)49(58)54-29-28-36-20-24-41(25-21-36)40-16-8-3-9-17-40)51(60)57-35-44-19-11-10-18-43(44)33-45(57)34-55-47(31-37-12-4-1-5-13-37)50(59)56-48(52(61)62)32-38-14-6-2-7-15-38/h2-3,6-11,14-27,37,45-48,55H,1,4-5,12-13,28-35,53H2,(H,54,58)(H,56,59)(H,61,62)/t45-,46-,47-,48-/m0/s1
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1.66E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69-593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50068664
PNG
(2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C37H38N4O6/c38-30(19-26-15-17-29(42)18-16-26)36(45)41-23-28-14-8-7-13-27(28)22-33(41)35(44)39-31(20-24-9-3-1-4-10-24)34(43)40-32(37(46)47)21-25-11-5-2-6-12-25/h1-18,30-33,42H,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33-/m0/s1
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1.72E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299558
PNG
(CHEMBL583488 | H-4'-carboxamido-2',6'-dimethylphen...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O |r|
Show InChI InChI=1S/C40H43N5O6/c1-24-17-30(36(42)46)18-25(2)31(24)22-32(41)39(49)45-23-29-16-10-9-15-28(29)21-35(45)38(48)43-33(19-26-11-5-3-6-12-26)37(47)44-34(40(50)51)20-27-13-7-4-8-14-27/h3-18,32-35H,19-23,41H2,1-2H3,(H2,42,46)(H,43,48)(H,44,47)(H,50,51)/t32-,33-,34-,35-/m0/s1
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2.21E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50299561
PNG
(CHEMBL572543 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C34H33N3O4/c35-30(33(39)37-22-29-9-5-4-8-28(29)21-31(37)34(40)41)20-24-12-16-27(17-13-24)32(38)36-19-18-23-10-14-26(15-11-23)25-6-2-1-3-7-25/h1-17,30-31H,18-22,35H2,(H,36,38)(H,40,41)/t30-,31-/m0/s1
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2.27E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50299563
PNG
(CHEMBL583487 | H-2',6'-dimethyl-4'-[N-((4'-phenyl)...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C36H37N3O4/c1-23-18-30(34(40)38-17-16-25-12-14-27(15-13-25)26-8-4-3-5-9-26)19-24(2)31(23)21-32(37)35(41)39-22-29-11-7-6-10-28(29)20-33(39)36(42)43/h3-15,18-19,32-33H,16-17,20-22,37H2,1-2H3,(H,38,40)(H,42,43)/t32-,33-/m0/s1
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2.75E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69-593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50299561
PNG
(CHEMBL572543 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C34H33N3O4/c35-30(33(39)37-22-29-9-5-4-8-28(29)21-31(37)34(40)41)20-24-12-16-27(17-13-24)32(38)36-19-18-23-10-14-26(15-11-23)25-6-2-1-3-7-25/h1-17,30-31H,18-22,35H2,(H,36,38)(H,40,41)/t30-,31-/m0/s1
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4.76E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69-593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50060080
PNG
(2-({2-[(R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C19H20N2O4/c20-16(9-12-5-7-15(22)8-6-12)18(23)21-11-14-4-2-1-3-13(14)10-17(21)19(24)25/h1-8,16-17,22H,9-11,20H2,(H,24,25)/t16-,17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69-593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50299560
PNG
(CHEMBL572542 | H-4'-[N-((4'-phenyl)phenethyl)carbo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C52H51N5O6/c53-44(30-38-22-26-41(27-23-38)48(58)54-29-28-35-20-24-40(25-21-35)39-16-8-3-9-17-39)51(61)57-34-43-19-11-10-18-42(43)33-47(57)50(60)55-45(31-36-12-4-1-5-13-36)49(59)56-46(52(62)63)32-37-14-6-2-7-15-37/h1-27,44-47H,28-34,53H2,(H,54,58)(H,55,60)(H,56,59)(H,62,63)/t44-,45-,46-,47-/m0/s1
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n/an/a 3.42n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as effect on muscle contraction


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50299557
PNG
((S)-2-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C39H42N4O6/c1-24-17-30(44)18-25(2)31(24)22-32(40)38(47)43-23-29-16-10-9-15-28(29)21-35(43)37(46)41-33(19-26-11-5-3-6-12-26)36(45)42-34(39(48)49)20-27-13-7-4-8-14-27/h3-18,32-35,44H,19-23,40H2,1-2H3,(H,41,46)(H,42,45)(H,48,49)/t32-,33-,34-,35-/m0/s1
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n/an/a 769n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as effect on muscle contraction


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50068664
PNG
(2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C37H38N4O6/c38-30(19-26-15-17-29(42)18-16-26)36(45)41-23-28-14-8-7-13-27(28)22-33(41)35(44)39-31(20-24-9-3-1-4-10-24)34(43)40-32(37(46)47)21-25-11-5-2-6-12-25/h1-18,30-33,42H,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as effect on muscle contraction


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair