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PubMed code 19168350

Compile data set for download or QSAR
Found 58 hits of Enzyme Inhibition Constant Data   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276409
PNG
((1S,2S)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3...)
Show SMILES COCCN[C@H]1[C@@H](CCc2ccccc12)c1ccsc1 |r|
Show InChI InChI=1S/C17H21NOS/c1-19-10-9-18-17-15-5-3-2-4-13(15)6-7-16(17)14-8-11-20-12-14/h2-5,8,11-12,16-18H,6-7,9-10H2,1H3/t16-,17+/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276496
PNG
(3-chloro-N-(2-methoxyethyl)-N-((1R,2R)-2-(4-phenyl...)
Show SMILES COCCN([C@H]1[C@@H](C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1sccc1Cl |r,c:7|
Show InChI InChI=1S/C28H30ClN3O2S/c1-34-19-18-32(28(33)27-24(29)13-20-35-27)26-23-10-6-5-7-21(23)11-12-25(26)31-16-14-30(15-17-31)22-8-3-2-4-9-22/h2-13,20,25-26H,14-19H2,1H3/t25-,26-/m1/s1
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n/an/a 58n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276363
PNG
((+/-)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3,4...)
Show SMILES COCCNC1C(CCc2ccccc12)c1ccsc1
Show InChI InChI=1S/C17H21NOS/c1-19-10-9-18-17-15-5-3-2-4-13(15)6-7-16(17)14-8-11-20-12-14/h2-5,8,11-12,16-18H,6-7,9-10H2,1H3
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n/an/a 69n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276495
PNG
((+/-)-3-chloro-N-(2-methoxyethyl)-N-(2-(4-phenylpi...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1sccc1Cl |c:7|
Show InChI InChI=1S/C28H30ClN3O2S/c1-34-19-18-32(28(33)27-24(29)13-20-35-27)26-23-10-6-5-7-21(23)11-12-25(26)31-16-14-30(15-17-31)22-8-3-2-4-9-22/h2-13,20,25-26H,14-19H2,1H3
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n/an/a 100n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276411
PNG
((+/-)-N-(2-methoxyethyl)-N-(2-(4-phenylpiperazin-1...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1ccco1 |c:7|
Show InChI InChI=1S/C28H31N3O3/c1-33-21-19-31(28(32)26-12-7-20-34-26)27-24-11-6-5-8-22(24)13-14-25(27)30-17-15-29(16-18-30)23-9-3-2-4-10-23/h2-14,20,25,27H,15-19,21H2,1H3
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n/an/a 126n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276445
PNG
((+/-)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)-N-(2-...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1cccc(OC)c1 |c:7|
Show InChI InChI=1S/C32H37N3O3/c1-37-22-21-35(31(36)24-25-9-8-13-28(23-25)38-2)32-29-14-7-6-10-26(29)15-16-30(32)34-19-17-33(18-20-34)27-11-4-3-5-12-27/h3-16,23,30,32H,17-22,24H2,1-2H3
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n/an/a 151n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50276497
PNG
((+/-)-2-(4-chlorophenoxy)-N-(2-(dimethylamino)-6,7...)
Show SMILES COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)COc1ccc(Cl)cc1
Show InChI InChI=1S/C25H33ClN2O5/c1-27(2)21-11-6-17-14-22(31-4)23(32-5)15-20(17)25(21)28(12-13-30-3)24(29)16-33-19-9-7-18(26)8-10-19/h7-10,14-15,21,25H,6,11-13,16H2,1-5H3
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n/an/a 155n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]U69593 from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276446
PNG
((+/-)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-(2-(...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1ccc(Cl)cc1 |c:7|
Show InChI InChI=1S/C31H34ClN3O2/c1-37-22-21-35(30(36)23-24-11-14-26(32)15-12-24)31-28-10-6-5-7-25(28)13-16-29(31)34-19-17-33(18-20-34)27-8-3-2-4-9-27/h2-16,29,31H,17-23H2,1H3
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n/an/a 181n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276444
PNG
((+/-)-2-(benzyloxy)-N-(2-methoxyethyl)-N-(2-(4-phe...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)COCc1ccccc1 |c:7|
Show InChI InChI=1S/C32H37N3O3/c1-37-23-22-35(31(36)25-38-24-26-10-4-2-5-11-26)32-29-15-9-8-12-27(29)16-17-30(32)34-20-18-33(19-21-34)28-13-6-3-7-14-28/h2-17,30,32H,18-25H2,1H3
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n/an/a 211n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276497
PNG
((+/-)-2-(4-chlorophenoxy)-N-(2-(dimethylamino)-6,7...)
Show SMILES COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)COc1ccc(Cl)cc1
Show InChI InChI=1S/C25H33ClN2O5/c1-27(2)21-11-6-17-14-22(31-4)23(32-5)15-20(17)25(21)28(12-13-30-3)24(29)16-33-19-9-7-18(26)8-10-19/h7-10,14-15,21,25H,6,11-13,16H2,1-5H3
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n/an/a 245n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276498
PNG
((+/-)-3,4-dichloro-N-(2-(dimethylamino)-6,7-dimeth...)
Show SMILES COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H30Cl2N2O4/c1-27(2)20-9-7-15-13-21(31-4)22(32-5)14-17(15)23(20)28(10-11-30-3)24(29)16-6-8-18(25)19(26)12-16/h6,8,12-14,20,23H,7,9-11H2,1-5H3
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n/an/a 351n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276412
PNG
((+/-)-3,4-dichloro-N-(2-methoxyethyl)-N-(2-(4-phen...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 |c:7|
Show InChI InChI=1S/C30H31Cl2N3O2/c1-37-20-19-35(30(36)23-11-13-26(31)27(32)21-23)29-25-10-6-5-7-22(25)12-14-28(29)34-17-15-33(16-18-34)24-8-3-2-4-9-24/h2-14,21,28-29H,15-20H2,1H3
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n/an/a 443n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50276409
PNG
((1S,2S)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3...)
Show SMILES COCCN[C@H]1[C@@H](CCc2ccccc12)c1ccsc1 |r|
Show InChI InChI=1S/C17H21NOS/c1-19-10-9-18-17-15-5-3-2-4-13(15)6-7-16(17)14-8-11-20-12-14/h2-5,8,11-12,16-18H,6-7,9-10H2,1H3/t16-,17+/m0/s1
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n/an/a 707n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]U69593 from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276624
PNG
((1R,2R)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3...)
Show SMILES COCCN[C@@H]1[C@H](CCc2ccccc12)c1ccsc1 |r|
Show InChI InChI=1S/C17H21NOS/c1-19-10-9-18-17-15-5-3-2-4-13(15)6-7-16(17)14-8-11-20-12-14/h2-5,8,11-12,16-18H,6-7,9-10H2,1H3/t16-,17+/m1/s1
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n/an/a 772n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50276566
PNG
((+/-)-2-(4-chlorophenyl)-N-(2-(dimethylamino)-6,7-...)
Show SMILES COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H33ClN2O4/c1-27(2)21-11-8-18-15-22(31-4)23(32-5)16-20(18)25(21)28(12-13-30-3)24(29)14-17-6-9-19(26)10-7-17/h6-7,9-10,15-16,21,25H,8,11-14H2,1-5H3
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n/an/a 922n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]U69593 from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50276567
PNG
((+/-)-2-(2-bromophenyl)-N-(2-(dimethylamino)-6,7-d...)
Show SMILES COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)Cc1ccccc1Br
Show InChI InChI=1S/C25H33BrN2O4/c1-27(2)21-11-10-17-14-22(31-4)23(32-5)16-19(17)25(21)28(12-13-30-3)24(29)15-18-8-6-7-9-20(18)26/h6-9,14,16,21,25H,10-13,15H2,1-5H3
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n/an/a 1.01E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]U69593 from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276566
PNG
((+/-)-2-(4-chlorophenyl)-N-(2-(dimethylamino)-6,7-...)
Show SMILES COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H33ClN2O4/c1-27(2)21-11-8-18-15-22(31-4)23(32-5)16-20(18)25(21)28(12-13-30-3)24(29)14-17-6-9-19(26)10-7-17/h6-7,9-10,15-16,21,25H,8,11-14H2,1-5H3
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n/an/a 1.12E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50276496
PNG
(3-chloro-N-(2-methoxyethyl)-N-((1R,2R)-2-(4-phenyl...)
Show SMILES COCCN([C@H]1[C@@H](C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1sccc1Cl |r,c:7|
Show InChI InChI=1S/C28H30ClN3O2S/c1-34-19-18-32(28(33)27-24(29)13-20-35-27)26-23-10-6-5-7-21(23)11-12-25(26)31-16-14-30(15-17-31)22-8-3-2-4-9-22/h2-13,20,25-26H,14-19H2,1H3/t25-,26-/m1/s1
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n/an/a 1.24E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50276410
PNG
((+/-)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3,4...)
Show SMILES COCCN(C1C(CCc2ccccc12)c1ccsc1)C(=O)c1cc(C)nn1C
Show InChI InChI=1S/C23H27N3O2S/c1-16-14-21(25(2)24-16)23(27)26(11-12-28-3)22-19-7-5-4-6-17(19)8-9-20(22)18-10-13-29-15-18/h4-7,10,13-15,20,22H,8-9,11-12H2,1-3H3
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n/an/a 1.27E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50276496
PNG
(3-chloro-N-(2-methoxyethyl)-N-((1R,2R)-2-(4-phenyl...)
Show SMILES COCCN([C@H]1[C@@H](C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1sccc1Cl |r,c:7|
Show InChI InChI=1S/C28H30ClN3O2S/c1-34-19-18-32(28(33)27-24(29)13-20-35-27)26-23-10-6-5-7-21(23)11-12-25(26)31-16-14-30(15-17-31)22-8-3-2-4-9-22/h2-13,20,25-26H,14-19H2,1H3/t25-,26-/m1/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]U69593 from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50276445
PNG
((+/-)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)-N-(2-...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1cccc(OC)c1 |c:7|
Show InChI InChI=1S/C32H37N3O3/c1-37-22-21-35(31(36)24-25-9-8-13-28(23-25)38-2)32-29-14-7-6-10-26(29)15-16-30(32)34-19-17-33(18-20-34)27-11-4-3-5-12-27/h3-16,23,30,32H,17-22,24H2,1-2H3
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n/an/a 1.47E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50276446
PNG
((+/-)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-(2-(...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1ccc(Cl)cc1 |c:7|
Show InChI InChI=1S/C31H34ClN3O2/c1-37-22-21-35(30(36)23-24-11-14-26(32)15-12-24)31-28-10-6-5-7-25(28)13-16-29(31)34-19-17-33(18-20-34)27-8-3-2-4-9-27/h2-16,29,31H,17-23H2,1H3
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n/an/a 1.96E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50276363
PNG
((+/-)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3,4...)
Show SMILES COCCNC1C(CCc2ccccc12)c1ccsc1
Show InChI InChI=1S/C17H21NOS/c1-19-10-9-18-17-15-5-3-2-4-13(15)6-7-16(17)14-8-11-20-12-14/h2-5,8,11-12,16-18H,6-7,9-10H2,1H3
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n/an/a 2.21E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]U69593 from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50276495
PNG
((+/-)-3-chloro-N-(2-methoxyethyl)-N-(2-(4-phenylpi...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1sccc1Cl |c:7|
Show InChI InChI=1S/C28H30ClN3O2S/c1-34-19-18-32(28(33)27-24(29)13-20-35-27)26-23-10-6-5-7-21(23)11-12-25(26)31-16-14-30(15-17-31)22-8-3-2-4-9-22/h2-13,20,25-26H,14-19H2,1H3
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n/an/a 2.29E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276569
PNG
(3-chloro-N-(2-methoxyethyl)-N-((1S,2S)-2-(4-phenyl...)
Show SMILES COCCN([C@@H]1[C@H](C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1sccc1Cl |r,c:7|
Show InChI InChI=1S/C28H30ClN3O2S/c1-34-19-18-32(28(33)27-24(29)13-20-35-27)26-23-10-6-5-7-21(23)11-12-25(26)31-16-14-30(15-17-31)22-8-3-2-4-9-22/h2-13,20,25-26H,14-19H2,1H3/t25-,26-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50276498
PNG
((+/-)-3,4-dichloro-N-(2-(dimethylamino)-6,7-dimeth...)
Show SMILES COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H30Cl2N2O4/c1-27(2)20-9-7-15-13-21(31-4)22(32-5)14-17(15)23(20)28(10-11-30-3)24(29)16-6-8-18(25)19(26)12-16/h6,8,12-14,20,23H,7,9-11H2,1-5H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50276412
PNG
((+/-)-3,4-dichloro-N-(2-methoxyethyl)-N-(2-(4-phen...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 |c:7|
Show InChI InChI=1S/C30H31Cl2N3O2/c1-37-20-19-35(30(36)23-11-13-26(31)27(32)21-23)29-25-10-6-5-7-22(25)12-14-28(29)34-17-15-33(16-18-34)24-8-3-2-4-9-24/h2-14,21,28-29H,15-20H2,1H3
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n/an/a 3.62E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50276409
PNG
((1S,2S)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3...)
Show SMILES COCCN[C@H]1[C@@H](CCc2ccccc12)c1ccsc1 |r|
Show InChI InChI=1S/C17H21NOS/c1-19-10-9-18-17-15-5-3-2-4-13(15)6-7-16(17)14-8-11-20-12-14/h2-5,8,11-12,16-18H,6-7,9-10H2,1H3/t16-,17+/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50276444
PNG
((+/-)-2-(benzyloxy)-N-(2-methoxyethyl)-N-(2-(4-phe...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)COCc1ccccc1 |c:7|
Show InChI InChI=1S/C32H37N3O3/c1-37-23-22-35(31(36)25-38-24-26-10-4-2-5-11-26)32-29-15-9-8-12-27(29)16-17-30(32)34-20-18-33(19-21-34)28-13-6-3-7-14-28/h2-17,30,32H,18-25H2,1H3
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n/an/a 3.89E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50276411
PNG
((+/-)-N-(2-methoxyethyl)-N-(2-(4-phenylpiperazin-1...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1ccco1 |c:7|
Show InChI InChI=1S/C28H31N3O3/c1-33-21-19-31(28(32)26-12-7-20-34-26)27-24-11-6-5-8-22(24)13-14-25(27)30-17-15-29(16-18-30)23-9-3-2-4-10-23/h2-14,20,25,27H,15-19,21H2,1H3
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n/an/a 3.95E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276567
PNG
((+/-)-2-(2-bromophenyl)-N-(2-(dimethylamino)-6,7-d...)
Show SMILES COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)Cc1ccccc1Br
Show InChI InChI=1S/C25H33BrN2O4/c1-27(2)21-11-10-17-14-22(31-4)23(32-5)16-19(17)25(21)28(12-13-30-3)24(29)15-18-8-6-7-9-20(18)26/h6-9,14,16,21,25H,10-13,15H2,1-5H3
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n/an/a 4.83E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276410
PNG
((+/-)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3,4...)
Show SMILES COCCN(C1C(CCc2ccccc12)c1ccsc1)C(=O)c1cc(C)nn1C
Show InChI InChI=1S/C23H27N3O2S/c1-16-14-21(25(2)24-16)23(27)26(11-12-28-3)22-19-7-5-4-6-17(19)8-9-20(22)18-10-13-29-15-18/h4-7,10,13-15,20,22H,8-9,11-12H2,1-3H3
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n/an/a 4.86E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50276498
PNG
((+/-)-3,4-dichloro-N-(2-(dimethylamino)-6,7-dimeth...)
Show SMILES COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H30Cl2N2O4/c1-27(2)20-9-7-15-13-21(31-4)22(32-5)14-17(15)23(20)28(10-11-30-3)24(29)16-6-8-18(25)19(26)12-16/h6,8,12-14,20,23H,7,9-11H2,1-5H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]U69593 from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50276495
PNG
((+/-)-3-chloro-N-(2-methoxyethyl)-N-(2-(4-phenylpi...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1sccc1Cl |c:7|
Show InChI InChI=1S/C28H30ClN3O2S/c1-34-19-18-32(28(33)27-24(29)13-20-35-27)26-23-10-6-5-7-21(23)11-12-25(26)31-16-14-30(15-17-31)22-8-3-2-4-9-22/h2-13,20,25-26H,14-19H2,1H3
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n/an/a 7.14E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]U69593 from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50276363
PNG
((+/-)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3,4...)
Show SMILES COCCNC1C(CCc2ccccc12)c1ccsc1
Show InChI InChI=1S/C17H21NOS/c1-19-10-9-18-17-15-5-3-2-4-13(15)6-7-16(17)14-8-11-20-12-14/h2-5,8,11-12,16-18H,6-7,9-10H2,1H3
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n/an/a 7.16E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50276446
PNG
((+/-)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-(2-(...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1ccc(Cl)cc1 |c:7|
Show InChI InChI=1S/C31H34ClN3O2/c1-37-22-21-35(30(36)23-24-11-14-26(32)15-12-24)31-28-10-6-5-7-25(28)13-16-29(31)34-19-17-33(18-20-34)27-8-3-2-4-9-27/h2-16,29,31H,17-23H2,1H3
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n/an/a 7.99E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]U69593 from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50276444
PNG
((+/-)-2-(benzyloxy)-N-(2-methoxyethyl)-N-(2-(4-phe...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)COCc1ccccc1 |c:7|
Show InChI InChI=1S/C32H37N3O3/c1-37-23-22-35(31(36)25-38-24-26-10-4-2-5-11-26)32-29-15-9-8-12-27(29)16-17-30(32)34-20-18-33(19-21-34)28-13-6-3-7-14-28/h2-17,30,32H,18-25H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]U69593 from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50276497
PNG
((+/-)-2-(4-chlorophenoxy)-N-(2-(dimethylamino)-6,7...)
Show SMILES COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)COc1ccc(Cl)cc1
Show InChI InChI=1S/C25H33ClN2O5/c1-27(2)21-11-6-17-14-22(31-4)23(32-5)15-20(17)25(21)28(12-13-30-3)24(29)16-33-19-9-7-18(26)8-10-19/h7-10,14-15,21,25H,6,11-13,16H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50276411
PNG
((+/-)-N-(2-methoxyethyl)-N-(2-(4-phenylpiperazin-1...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1ccco1 |c:7|
Show InChI InChI=1S/C28H31N3O3/c1-33-21-19-31(28(32)26-12-7-20-34-26)27-24-11-6-5-8-22(24)13-14-25(27)30-17-15-29(16-18-30)23-9-3-2-4-10-23/h2-14,20,25,27H,15-19,21H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]U69593 from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50276567
PNG
((+/-)-2-(2-bromophenyl)-N-(2-(dimethylamino)-6,7-d...)
Show SMILES COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)Cc1ccccc1Br
Show InChI InChI=1S/C25H33BrN2O4/c1-27(2)21-11-10-17-14-22(31-4)23(32-5)16-19(17)25(21)28(12-13-30-3)24(29)15-18-8-6-7-9-20(18)26/h6-9,14,16,21,25H,10-13,15H2,1-5H3
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University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50276410
PNG
((+/-)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3,4...)
Show SMILES COCCN(C1C(CCc2ccccc12)c1ccsc1)C(=O)c1cc(C)nn1C
Show InChI InChI=1S/C23H27N3O2S/c1-16-14-21(25(2)24-16)23(27)26(11-12-28-3)22-19-7-5-4-6-17(19)8-9-20(22)18-10-13-29-15-18/h4-7,10,13-15,20,22H,8-9,11-12H2,1-3H3
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University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]U69593 from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50276412
PNG
((+/-)-3,4-dichloro-N-(2-methoxyethyl)-N-(2-(4-phen...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 |c:7|
Show InChI InChI=1S/C30H31Cl2N3O2/c1-37-20-19-35(30(36)23-11-13-26(31)27(32)21-23)29-25-10-6-5-7-22(25)12-14-28(29)34-17-15-33(16-18-34)24-8-3-2-4-9-24/h2-14,21,28-29H,15-20H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]U69593 from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50276445
PNG
((+/-)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)-N-(2-...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1cccc(OC)c1 |c:7|
Show InChI InChI=1S/C32H37N3O3/c1-37-22-21-35(31(36)24-25-9-8-13-28(23-25)38-2)32-29-14-7-6-10-26(29)15-16-30(32)34-19-17-33(18-20-34)27-11-4-3-5-12-27/h3-16,23,30,32H,17-22,24H2,1-2H3
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University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]U69593 from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50276566
PNG
((+/-)-2-(4-chlorophenyl)-N-(2-(dimethylamino)-6,7-...)
Show SMILES COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H33ClN2O4/c1-27(2)21-11-8-18-15-22(31-4)23(32-5)16-20(18)25(21)28(12-13-30-3)24(29)14-17-6-9-19(26)10-7-17/h6-7,9-10,15-16,21,25H,8,11-14H2,1-5H3
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University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276409
PNG
((1S,2S)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3...)
Show SMILES COCCN[C@H]1[C@@H](CCc2ccccc12)c1ccsc1 |r|
Show InChI InChI=1S/C17H21NOS/c1-19-10-9-18-17-15-5-3-2-4-13(15)6-7-16(17)14-8-11-20-12-14/h2-5,8,11-12,16-18H,6-7,9-10H2,1H3/t16-,17+/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Activity at human cloned mu opioid receptor assessed as reversal of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276495
PNG
((+/-)-3-chloro-N-(2-methoxyethyl)-N-(2-(4-phenylpi...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1sccc1Cl |c:7|
Show InChI InChI=1S/C28H30ClN3O2S/c1-34-19-18-32(28(33)27-24(29)13-20-35-27)26-23-10-6-5-7-21(23)11-12-25(26)31-16-14-30(15-17-31)22-8-3-2-4-9-22/h2-13,20,25-26H,14-19H2,1H3
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n/an/an/an/a>9.00E+4n/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Agonist activity at human cloned mu opioid receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276497
PNG
((+/-)-2-(4-chlorophenoxy)-N-(2-(dimethylamino)-6,7...)
Show SMILES COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)COc1ccc(Cl)cc1
Show InChI InChI=1S/C25H33ClN2O5/c1-27(2)21-11-6-17-14-22(31-4)23(32-5)15-20(17)25(21)28(12-13-30-3)24(29)16-33-19-9-7-18(26)8-10-19/h7-10,14-15,21,25H,6,11-13,16H2,1-5H3
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n/an/an/an/a>9.00E+4n/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Agonist activity at human cloned mu opioid receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276445
PNG
((+/-)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)-N-(2-...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1cccc(OC)c1 |c:7|
Show InChI InChI=1S/C32H37N3O3/c1-37-22-21-35(31(36)24-25-9-8-13-28(23-25)38-2)32-29-14-7-6-10-26(29)15-16-30(32)34-19-17-33(18-20-34)27-11-4-3-5-12-27/h3-16,23,30,32H,17-22,24H2,1-2H3
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n/an/an/an/a>9.00E+4n/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Agonist activity at human cloned mu opioid receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276409
PNG
((1S,2S)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3...)
Show SMILES COCCN[C@H]1[C@@H](CCc2ccccc12)c1ccsc1 |r|
Show InChI InChI=1S/C17H21NOS/c1-19-10-9-18-17-15-5-3-2-4-13(15)6-7-16(17)14-8-11-20-12-14/h2-5,8,11-12,16-18H,6-7,9-10H2,1H3/t16-,17+/m0/s1
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n/an/an/an/a 2.60E+3n/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Agonist activity at human cloned mu opioid receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276412
PNG
((+/-)-3,4-dichloro-N-(2-methoxyethyl)-N-(2-(4-phen...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 |c:7|
Show InChI InChI=1S/C30H31Cl2N3O2/c1-37-20-19-35(30(36)23-11-13-26(31)27(32)21-23)29-25-10-6-5-7-22(25)12-14-28(29)34-17-15-33(16-18-34)24-8-3-2-4-9-24/h2-14,21,28-29H,15-20H2,1H3
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n/an/an/an/a>9.00E+4n/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Activity at human cloned mu opioid receptor assessed as reversal of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276566
PNG
((+/-)-2-(4-chlorophenyl)-N-(2-(dimethylamino)-6,7-...)
Show SMILES COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H33ClN2O4/c1-27(2)21-11-8-18-15-22(31-4)23(32-5)16-20(18)25(21)28(12-13-30-3)24(29)14-17-6-9-19(26)10-7-17/h6-7,9-10,15-16,21,25H,8,11-14H2,1-5H3
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n/an/an/an/a>9.00E+4n/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Agonist activity at human cloned mu opioid receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50026752
PNG
(1-Methyl-4-phenyl-piperidine-4-carboxylic acid eth...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
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n/an/an/an/a 9.40E+3n/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Activity at human cloned mu opioid receptor assessed as reversal of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276568
PNG
(CHEMBL1685 | DEZOCINE | Dalgan | US9656961, Exampl...)
Show SMILES C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc13)[C@@H]2N |r|
Show InChI InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1
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n/an/an/an/a 38n/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Activity at human cloned mu opioid receptor assessed as reversal of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276446
PNG
((+/-)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-(2-(...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1ccc(Cl)cc1 |c:7|
Show InChI InChI=1S/C31H34ClN3O2/c1-37-22-21-35(30(36)23-24-11-14-26(32)15-12-24)31-28-10-6-5-7-25(28)13-16-29(31)34-19-17-33(18-20-34)27-8-3-2-4-9-27/h2-16,29,31H,17-23H2,1H3
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n/an/an/an/a>9.00E+4n/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Agonist activity at human cloned mu opioid receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276444
PNG
((+/-)-2-(benzyloxy)-N-(2-methoxyethyl)-N-(2-(4-phe...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)COCc1ccccc1 |c:7|
Show InChI InChI=1S/C32H37N3O3/c1-37-23-22-35(31(36)25-38-24-26-10-4-2-5-11-26)32-29-15-9-8-12-27(29)16-17-30(32)34-20-18-33(19-21-34)28-13-6-3-7-14-28/h2-17,30,32H,18-25H2,1H3
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n/an/an/an/a>9.00E+4n/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Agonist activity at human cloned mu opioid receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276363
PNG
((+/-)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3,4...)
Show SMILES COCCNC1C(CCc2ccccc12)c1ccsc1
Show InChI InChI=1S/C17H21NOS/c1-19-10-9-18-17-15-5-3-2-4-13(15)6-7-16(17)14-8-11-20-12-14/h2-5,8,11-12,16-18H,6-7,9-10H2,1H3
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n/an/an/an/a>9.00E+4n/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Agonist activity at human cloned mu opioid receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276411
PNG
((+/-)-N-(2-methoxyethyl)-N-(2-(4-phenylpiperazin-1...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1ccco1 |c:7|
Show InChI InChI=1S/C28H31N3O3/c1-33-21-19-31(28(32)26-12-7-20-34-26)27-24-11-6-5-8-22(24)13-14-25(27)30-17-15-29(16-18-30)23-9-3-2-4-10-23/h2-14,20,25,27H,15-19,21H2,1H3
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n/an/an/an/a>9.00E+4n/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Activity at human cloned mu opioid receptor assessed as reversal of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276498
PNG
((+/-)-3,4-dichloro-N-(2-(dimethylamino)-6,7-dimeth...)
Show SMILES COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H30Cl2N2O4/c1-27(2)20-9-7-15-13-21(31-4)22(32-5)14-17(15)23(20)28(10-11-30-3)24(29)16-6-8-18(25)19(26)12-16/h6,8,12-14,20,23H,7,9-11H2,1-5H3
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n/an/an/an/a>9.00E+4n/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Activity at human cloned mu opioid receptor assessed as reversal of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%