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Patent code US10604489

Compile Data Set for Download or QSAR
Found 172 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))
BDBM438893
PNG
((1R,5S)-3-cyclopentyl-3-azaspiro[bicyclo[3.3.1]non...)
Show SMILES COC1(C2CCCC1CN(C2)C1CCCC1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H29N3O2/c1-25-20(14-9-10-22-18(11-14)19(21)24)15-5-4-6-16(20)13-23(12-15)17-7-2-3-8-17/h9-11,15-17H,2-8,12-13H2,1H3,(H2,21,24)
PDB

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<1n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438920
PNG
(4-((1R,5S,9r)-9-methoxy-3-(2-oxaspiro[3.3]heptan-6...)
Show SMILES COC1(C2CCCC1CN(C2)C1CC2(COC2)C1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C21H29N3O3/c1-26-21(14-5-6-23-18(7-14)19(22)25)15-3-2-4-16(21)11-24(10-15)17-8-20(9-17)12-27-13-20/h5-7,15-17H,2-4,8-13H2,1H3,(H2,22,25)
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<1n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438969
PNG
(US10604489, Compound 130)
Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1C[C@H](C)C1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H29N3O2/c1-13-8-17(9-13)23-11-15-4-3-5-16(12-23)20(15,25-2)14-6-7-22-18(10-14)19(21)24/h6-7,10,13,15-17H,3-5,8-9,11-12H2,1-2H3,(H2,21,24)/t13-,15?,16?,17+,20?
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<1n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438980
PNG
(US10604489, Compound 141)
Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1CCCOC1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H30N2O3/c1-25-21(16-6-2-5-15(11-16)20(22)24)17-7-3-8-18(21)13-23(12-17)19-9-4-10-26-14-19/h2,5-6,11,17-19H,3-4,7-10,12-14H2,1H3,(H2,22,24)/t17?,18?,19-,21?/m1/s1
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438982
PNG
(US10604489, Compound 143)
Show SMILES COC1(C2CCCC1CN(C[C@@H]1CCOC1)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H30N2O3/c1-25-21(17-5-2-4-16(10-17)20(22)24)18-6-3-7-19(21)13-23(12-18)11-15-8-9-26-14-15/h2,4-5,10,15,18-19H,3,6-9,11-14H2,1H3,(H2,22,24)/t15-,18?,19?,21?/m0/s1
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<1n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438992
PNG
(3-((1R,5S,9r)-3-(but-3-yn-1-yl)-9-methoxy-3-azabic...)
Show SMILES COC1(C2CCCC1CN(CCc1cnn[nH]1)C2)c1cccc(c1)C(N)=O
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM439007
PNG
(US10604489, Compound 197)
Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C21H27F2N3O2/c1-28-20(12-5-6-25-18(7-12)19(24)27)13-3-2-4-14(20)11-26(10-13)15-8-16-17(9-15)21(16,22)23/h5-7,13-17H,2-4,8-11H2,1H3,(H2,24,27)/t13?,14?,15-,16+,17-,20?
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM439009
PNG
(US10604489, Compound 199)
Show SMILES COC1(C2CCCC1CN(C2)C1C[C@@H]2C[C@@H]2C1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H30N2O2/c1-26-22(17-5-2-4-14(9-17)21(23)25)18-6-3-7-19(22)13-24(12-18)20-10-15-8-16(15)11-20/h2,4-5,9,15-16,18-20H,3,6-8,10-13H2,1H3,(H2,23,25)/t15-,16+,18?,19?,20?,22?
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438858
PNG
(3-((1R,5S,9r)-3-benzyl-9-methoxy-3-azabicyclo[3.3....)
Show SMILES COC1(C2CCCC1CN(Cc1ccccc1)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H28N2O2/c1-27-23(19-10-5-9-18(13-19)22(24)26)20-11-6-12-21(23)16-25(15-20)14-17-7-3-2-4-8-17/h2-5,7-10,13,20-21H,6,11-12,14-16H2,1H3,(H2,24,26)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438868
PNG
((1R,5S,9r)-3-(cyclopropylmethyl)-9-ethoxy-9-(3-iod...)
Show SMILES CCOC1(C2CCCC1CN(CC1CC1)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H30N2O2/c1-2-25-21(17-6-3-5-16(11-17)20(22)24)18-7-4-8-19(21)14-23(13-18)12-15-9-10-15/h3,5-6,11,15,18-19H,2,4,7-10,12-14H2,1H3,(H2,22,24)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438874
PNG
(5-((1R,5S,9r)-3-(cyclopropylmethyl)-9-methoxy-3-az...)
Show SMILES COC1(C2CCCC1CN(CC1CC1)C2)c1ccc(s1)C(N)=O
Show InChI InChI=1S/C18H26N2O2S/c1-22-18(16-8-7-15(23-16)17(19)21)13-3-2-4-14(18)11-20(10-13)9-12-5-6-12/h7-8,12-14H,2-6,9-11H2,1H3,(H2,19,21)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438887
PNG
(2-hydroxy-3-((1R,5S,9r)-9-methoxy-3-methyl-3-azabi...)
Show SMILES COC1(C2CCCC1CN(C)C2)c1cccc(C(N)=O)c1O
Show InChI InChI=1S/C17H24N2O3/c1-19-9-11-5-3-6-12(10-19)17(11,22-2)14-8-4-7-13(15(14)20)16(18)21/h4,7-8,11-12,20H,3,5-6,9-10H2,1-2H3,(H2,18,21)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438861
PNG
(3-((1R,5S,9r)-9-methoxy-3-methyl-3-azabicyclo[3.3....)
Show SMILES COC1(C2CCCC1CN(C)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C17H24N2O2/c1-19-10-14-7-4-8-15(11-19)17(14,21-2)13-6-3-5-12(9-13)16(18)20/h3,5-6,9,14-15H,4,7-8,10-11H2,1-2H3,(H2,18,20)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438903
PNG
(3-((1R,5S,9r)-3-((1H-benzo[d]imidazol-2-yl)methyl)...)
Show SMILES COC1(C2CCCC1CN(Cc1nc3ccccc3[nH]1)C2)c1cccc(c1)C(N)=O
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438904
PNG
(3-((1R,5S,9r)-3-(2-(2,5-dioxopyrrolidin-1-yl)ethyl...)
Show SMILES COC1(C2CCCC1CN(CCN1C(=O)CCC1=O)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H29N3O4/c1-29-22(16-5-2-4-15(12-16)21(23)28)17-6-3-7-18(22)14-24(13-17)10-11-25-19(26)8-9-20(25)27/h2,4-5,12,17-18H,3,6-11,13-14H2,1H3,(H2,23,28)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438943
PNG
(US10604489, Compound 104)
Show SMILES COC1(C2CCCC1CN(C[C@@H]1C[C@@H]3C[C@@H]3C1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C22H31N3O2/c1-27-22(17-5-6-24-20(10-17)21(23)26)18-3-2-4-19(22)13-25(12-18)11-14-7-15-9-16(15)8-14/h5-6,10,14-16,18-19H,2-4,7-9,11-13H2,1H3,(H2,23,26)/t14-,15-,16+,18?,19?,22?
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438979
PNG
(US10604489, Compound 140)
Show SMILES COC1(C2CCCC1CN(C2)[C@H]1CCCOC1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H30N2O3/c1-25-21(16-6-2-5-15(11-16)20(22)24)17-7-3-8-18(21)13-23(12-17)19-9-4-10-26-14-19/h2,5-6,11,17-19H,3-4,7-10,12-14H2,1H3,(H2,22,24)/t17?,18?,19-,21?/m0/s1
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM439006
PNG
(US10604489, Compound 196)
Show SMILES COC1(C2CCCC1CN(C2)C1CCC(F)(F)CC1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H30F2N2O2/c1-28-22(16-5-2-4-15(12-16)20(25)27)17-6-3-7-18(22)14-26(13-17)19-8-10-21(23,24)11-9-19/h2,4-5,12,17-19H,3,6-11,13-14H2,1H3,(H2,25,27)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438854
PNG
(4-((1R,5S,9R)-3-((1R,3r,5S)-6,6-difluorobicyclo[3....)
Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C21H27F2N3O2/c1-28-20(12-5-6-25-18(7-12)19(24)27)13-3-2-4-14(20)11-26(10-13)15-8-16-17(9-15)21(16,22)23/h5-7,13-17H,2-4,8-11H2,1H3,(H2,24,27)/t13?,14?,15-,16+,17-,20?
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438855
PNG
(US10604489, Compound 19)
Show SMILES COC1(C2CCCC1CN(C2)[C@@H](C)c1cnc[nH]1)c1cccc(c1)C(N)=O
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438863
PNG
(3-((1R,5S,9r)-3-isopropyl-9-methoxy-3-azabicyclo[3...)
Show SMILES COC1(C2CCCC1CN(C2)C(C)C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C19H28N2O2/c1-13(2)21-11-16-8-5-9-17(12-21)19(16,23-3)15-7-4-6-14(10-15)18(20)22/h4,6-7,10,13,16-17H,5,8-9,11-12H2,1-3H3,(H2,20,22)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438876
PNG
(3-((1R,5S,9r)-3-cyclopropyl-9-methoxy-3-azabicyclo...)
Show SMILES COC1(C2CCCC1CN(C2)C1CC1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C19H26N2O2/c1-23-19(14-5-2-4-13(10-14)18(20)22)15-6-3-7-16(19)12-21(11-15)17-8-9-17/h2,4-5,10,15-17H,3,6-9,11-12H2,1H3,(H2,20,22)
PDB

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<1n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438916
PNG
(4-((1R,5S,9r)-9-methoxy-3-(spiro[3.3]heptan-2-yl)-...)
Show SMILES COC1(C2CCCC1CN(C2)C1CC2(CCC2)C1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C22H31N3O2/c1-27-22(15-6-9-24-19(10-15)20(23)26)16-4-2-5-17(22)14-25(13-16)18-11-21(12-18)7-3-8-21/h6,9-10,16-18H,2-5,7-8,11-14H2,1H3,(H2,23,26)
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<1n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438928
PNG
(US10604489, Compound 89)
Show SMILES COC1(C2CCCC1CN(C2)C1C[C@@H](C1)c1ccccc1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C25H31N3O2/c1-30-25(19-10-11-27-23(14-19)24(26)29)20-8-5-9-21(25)16-28(15-20)22-12-18(13-22)17-6-3-2-4-7-17/h2-4,6-7,10-11,14,18,20-22H,5,8-9,12-13,15-16H2,1H3,(H2,26,29)/t18-,20?,21?,22?,25?
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438941
PNG
(US10604489, Compound 102)
Show SMILES COC1(C2CCCC1CN(C[C@H]1C[C@@H]3C[C@@H]3C1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C22H31N3O2/c1-27-22(17-5-6-24-20(10-17)21(23)26)18-3-2-4-19(22)13-25(12-18)11-14-7-15-9-16(15)8-14/h5-6,10,14-16,18-19H,2-4,7-9,11-13H2,1H3,(H2,23,26)/t14-,15+,16-,18?,19?,22?
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438948
PNG
(US10604489, Compound 109)
Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1CC[C@H]1c1ccccc1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C25H31N3O2/c1-30-25(18-12-13-27-22(14-18)24(26)29)19-8-5-9-20(25)16-28(15-19)23-11-10-21(23)17-6-3-2-4-7-17/h2-4,6-7,12-14,19-21,23H,5,8-11,15-16H2,1H3,(H2,26,29)/t19?,20?,21-,23+,25?/m0/s1
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438973
PNG
(4-((1R,5S,9S)-9-methoxy-3-((S)-pentan-2-yl)-3-azab...)
Show SMILES CCC[C@H](C)N1CC2CCCC(C1)C2(OC)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H31N3O2/c1-4-6-14(2)23-12-16-7-5-8-17(13-23)20(16,25-3)15-9-10-22-18(11-15)19(21)24/h9-11,14,16-17H,4-8,12-13H2,1-3H3,(H2,21,24)/t14-,16?,17?,20?/m0/s1
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438978
PNG
(US10604489, Compound 139)
Show SMILES CO[C@H]1C[C@H](C1)N1CC2CCCC(C1)C2(OC)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H29N3O3/c1-25-17-9-16(10-17)23-11-14-4-3-5-15(12-23)20(14,26-2)13-6-7-22-18(8-13)19(21)24/h6-8,14-17H,3-5,9-12H2,1-2H3,(H2,21,24)/t14?,15?,16-,17+,20?
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438994
PNG
(3-((1R,5S,9r)-3-(3-fluoropropyl)-9-methoxy-3-azabi...)
Show SMILES COC1(C2CCCC1CN(CCCF)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C19H27FN2O2/c1-24-19(15-6-2-5-14(11-15)18(21)23)16-7-3-8-17(19)13-22(12-16)10-4-9-20/h2,5-6,11,16-17H,3-4,7-10,12-13H2,1H3,(H2,21,23)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438838
PNG
(US10604489, Compound 2)
Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1C[C@H](F)C1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C19H26FN3O2/c1-25-19(12-5-6-22-17(7-12)18(21)24)13-3-2-4-14(19)11-23(10-13)16-8-15(20)9-16/h5-7,13-16H,2-4,8-11H2,1H3,(H2,21,24)/t13?,14?,15-,16+,19?
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438849
PNG
(4-((1R,5S,9r)-9-methoxy-3-(7-oxaspiro[3.5]nonan-2-...)
Show SMILES COC1(C2CCCC1CN(C2)C1CC2(C1)CCOCC2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C23H33N3O3/c1-28-23(16-5-8-25-20(11-16)21(24)27)17-3-2-4-18(23)15-26(14-17)19-12-22(13-19)6-9-29-10-7-22/h5,8,11,17-19H,2-4,6-7,9-10,12-15H2,1H3,(H2,24,27)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438852
PNG
(US10604489, Compound 16)
Show SMILES COC1(C2CCCC1CN(C2)C1CC2CCC(C1)O2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H32N2O3/c1-27-23(16-5-2-4-15(10-16)22(24)26)17-6-3-7-18(23)14-25(13-17)19-11-20-8-9-21(12-19)28-20/h2,4-5,10,17-21H,3,6-9,11-14H2,1H3,(H2,24,26)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438853
PNG
(3-((1R,5S,9R)-3-((1R,3r,5S)-6,6-difluorobicyclo[3....)
Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H28F2N2O2/c1-28-21(14-5-2-4-13(8-14)20(25)27)15-6-3-7-16(21)12-26(11-15)17-9-18-19(10-17)22(18,23)24/h2,4-5,8,15-19H,3,6-7,9-12H2,1H3,(H2,25,27)/t15?,16?,17-,18+,19-,21?
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438873
PNG
((1R,5S,9r)-tert-butyl 9-(3-hydroxphenyl)-9-methoxy...)
Show SMILES COC1(C2CCCC1CNC2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C16H22N2O2/c1-20-16(12-5-2-4-11(8-12)15(17)19)13-6-3-7-14(16)10-18-9-13/h2,4-5,8,13-14,18H,3,6-7,9-10H2,1H3,(H2,17,19)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438885
PNG
(3-((1R,5S,9r)-9-methoxy-3-propyl-3-azabicyclo[3.3....)
Show SMILES CCCN1CC2CCCC(C1)C2(OC)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C19H28N2O2/c1-3-10-21-12-16-8-5-9-17(13-21)19(16,23-2)15-7-4-6-14(11-15)18(20)22/h4,6-7,11,16-17H,3,5,8-10,12-13H2,1-2H3,(H2,20,22)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438902
PNG
(3-((1R,5S,9r)-9-methoxy-3-(2-(2-oxoimidazolidin-1-...)
Show SMILES COC1(C2CCCC1CN(CCN1CCNC1=O)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H30N4O3/c1-28-21(16-5-2-4-15(12-16)19(22)26)17-6-3-7-18(21)14-24(13-17)10-11-25-9-8-23-20(25)27/h2,4-5,12,17-18H,3,6-11,13-14H2,1H3,(H2,22,26)(H,23,27)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438914
PNG
(3-((1R,5S,9r)-3-((1H-1,2,3-triazol-5-yl)methyl)-9-...)
Show SMILES COC1(C2CCCC1CN(Cc1cnn[nH]1)C2)c1cccc(c1)C(N)=O
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438983
PNG
(4-((1R,5S,9s)-9-methoxy-3-((1S,2S)-2-methylcyclobu...)
Show SMILES COC1(C2CCCC1CN(C2)C1CC[C@H]1C)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H29N3O2/c1-13-6-7-18(13)23-11-15-4-3-5-16(12-23)20(15,25-2)14-8-9-22-17(10-14)19(21)24/h8-10,13,15-16,18H,3-7,11-12H2,1-2H3,(H2,21,24)/t13-,15?,16?,18?,20?/m1/s1
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438990
PNG
(4-((1R,5S,9r)-9-methoxy-3-((5-methyl-1H-imidazol-2...)
Show SMILES COC1(C2CCCC1CN(Cc1cnc(C)[nH]1)C2)c1ccnc(c1)C(N)=O
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438991
PNG
(3-((1R,5S,9r)-3-((1H-indazol-3-yl)methyl)-9-methox...)
Show SMILES COC1(C2CCCC1CN(Cc1n[nH]c3ccccc13)C2)c1cccc(c1)C(N)=O
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438993
PNG
(US10604489, Compound 156)
Show SMILES COC1(C2CCCC1CN(C[C@@H]1C[C@@H]3C[C@@H]3C1)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H32N2O2/c1-27-23(19-5-2-4-16(11-19)22(24)26)20-6-3-7-21(23)14-25(13-20)12-15-8-17-10-18(17)9-15/h2,4-5,11,15,17-18,20-21H,3,6-10,12-14H2,1H3,(H2,24,26)/t15-,17-,18+,20?,21?,23?
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438998
PNG
(US10604489, Compound 159)
Show SMILES COC1(C2CCCC1CN(CCC(F)F)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C19H26F2N2O2/c1-25-19(14-5-2-4-13(10-14)18(22)24)15-6-3-7-16(19)12-23(11-15)9-8-17(20)21/h2,4-5,10,15-17H,3,6-9,11-12H2,1H3,(H2,22,24)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438848
PNG
(US10604489, Compound 12)
Show SMILES COC1(C2CCCC1CN(C2)C1CC2CCC(C1)O2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C22H31N3O3/c1-27-22(14-7-8-24-20(9-14)21(23)26)15-3-2-4-16(22)13-25(12-15)17-10-18-5-6-19(11-17)28-18/h7-9,15-19H,2-6,10-13H2,1H3,(H2,23,26)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438861
PNG
(3-((1R,5S,9r)-9-methoxy-3-methyl-3-azabicyclo[3.3....)
Show SMILES COC1(C2CCCC1CN(C)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C17H24N2O2/c1-19-10-14-7-4-8-15(11-19)17(14,21-2)13-6-3-5-12(9-13)16(18)20/h3,5-6,9,14-15H,4,7-8,10-11H2,1-2H3,(H2,18,20)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438862
PNG
(3-((1R,5S,9r)-9-methoxy-3-phenethyl-3-azabicyclo[3...)
Show SMILES COC1(C2CCCC1CN(CCc1ccccc1)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C24H30N2O2/c1-28-24(20-10-5-9-19(15-20)23(25)27)21-11-6-12-22(24)17-26(16-21)14-13-18-7-3-2-4-8-18/h2-5,7-10,15,21-22H,6,11-14,16-17H2,1H3,(H2,25,27)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438867
PNG
(3-((1R,5S,9r)-3-butyl-9-methoxy-3-azabicyclo[3.3.1...)
Show SMILES CCCCN1CC2CCCC(C1)C2(OC)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C20H30N2O2/c1-3-4-11-22-13-17-9-6-10-18(14-22)20(17,24-2)16-8-5-7-15(12-16)19(21)23/h5,7-8,12,17-18H,3-4,6,9-11,13-14H2,1-2H3,(H2,21,23)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438886
PNG
((1R,5S,9r)-9-(5-bromothiophen-2-yl)-3-methyl-3-aza...)
Show SMILES COC1(C2CCCC1CN(C)C2)c1ccc(s1)C(N)=O
Show InChI InChI=1S/C15H22N2O2S/c1-17-8-10-4-3-5-11(9-17)15(10,19-2)13-7-6-12(20-13)14(16)18/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,16,18)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438896
PNG
(3-((1R,5S,9r)-3-((2-hydroxy-2,3-dihydro-1H-inden-2...)
Show SMILES COC1(C2CCCC1CN(CC1(O)Cc3ccccc3C1)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C26H32N2O3/c1-31-26(21-9-4-8-18(12-21)24(27)29)22-10-5-11-23(26)16-28(15-22)17-25(30)13-19-6-2-3-7-20(19)14-25/h2-4,6-9,12,22-23,30H,5,10-11,13-17H2,1H3,(H2,27,29)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438912
PNG
(4-((1R,5S,9r)-3-((2-hydroxy-2,3-dihydro-1H-inden-2...)
Show SMILES COC1(C2CCCC1CN(CC1(O)Cc3ccccc3C1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C25H31N3O3/c1-31-25(19-9-10-27-22(11-19)23(26)29)20-7-4-8-21(25)15-28(14-20)16-24(30)12-17-5-2-3-6-18(17)13-24/h2-3,5-6,9-11,20-21,30H,4,7-8,12-16H2,1H3,(H2,26,29)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438968
PNG
(3-((1R,5S,9r)-9-methoxy-3-(spiro[3.3]heptan-2-yl)-...)
Show SMILES COC1(C2CCCC1CN(C2)C1CC2(CCC2)C1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H32N2O2/c1-27-23(17-6-2-5-16(11-17)21(24)26)18-7-3-8-19(23)15-25(14-18)20-12-22(13-20)9-4-10-22/h2,5-6,11,18-20H,3-4,7-10,12-15H2,1H3,(H2,24,26)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438972
PNG
(3-((1R,5S,9r)-9-methoxy-3-(2-oxaspiro[3.3]heptan-6...)
Show SMILES COC1(C2CCCC1CN(C2)C1CC2(COC2)C1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H30N2O3/c1-26-22(16-5-2-4-15(8-16)20(23)25)17-6-3-7-18(22)12-24(11-17)19-9-21(10-19)13-27-14-21/h2,4-5,8,17-19H,3,6-7,9-14H2,1H3,(H2,23,25)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438988
PNG
(3-((1R,5S,9r)-9-methoxy-3-(1-phenylazetidin-3-yl)-...)
Show SMILES COC1(C2CCCC1CN(C2)C1CN(C1)c1ccccc1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C25H31N3O2/c1-30-25(19-8-5-7-18(13-19)24(26)29)20-9-6-10-21(25)15-27(14-20)23-16-28(17-23)22-11-3-2-4-12-22/h2-5,7-8,11-13,20-21,23H,6,9-10,14-17H2,1H3,(H2,26,29)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438989
PNG
(US10604489, Compound 152)
Show SMILES COC1(C2CCCC1CN(C[C@H]1C[C@@H]3C[C@@H]3C1)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H32N2O2/c1-27-23(19-5-2-4-16(11-19)22(24)26)20-6-3-7-21(23)14-25(13-20)12-15-8-17-10-18(17)9-15/h2,4-5,11,15,17-18,20-21H,3,6-10,12-14H2,1H3,(H2,24,26)/t15-,17+,18-,20?,21?,23?
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438844
PNG
(3-((1R,5S,9r)-3-(4,4-difluorocyclohexyl)-9-methoxy...)
Show SMILES COC1(C2CCCC1CN(C2)C1CCC(F)(F)CC1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H30F2N2O2/c1-28-22(16-5-2-4-15(12-16)20(25)27)17-6-3-7-18(22)14-26(13-17)19-8-10-21(23,24)11-9-19/h2,4-5,12,17-19H,3,6-11,13-14H2,1H3,(H2,25,27)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438864
PNG
(3-benzyl-1,5,3-dioxazepane | US10604489, Compound ...)
Show SMILES COC1(C2CCCC1CN(CC1CCC1)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H30N2O2/c1-25-21(17-8-3-7-16(11-17)20(22)24)18-9-4-10-19(21)14-23(13-18)12-15-5-2-6-15/h3,7-8,11,15,18-19H,2,4-6,9-10,12-14H2,1H3,(H2,22,24)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438872
PNG
(3-((1R,5S,9r)-9-methoxy-3-(3,3,3-trifluoropropyl)-...)
Show SMILES COC1(C2CCCC1CN(CCC(F)(F)F)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C19H25F3N2O2/c1-26-19(14-5-2-4-13(10-14)17(23)25)15-6-3-7-16(19)12-24(11-15)9-8-18(20,21)22/h2,4-5,10,15-16H,3,6-9,11-12H2,1H3,(H2,23,25)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438881
PNG
(4-((1R,5S,9r)-9-methoxy-3-methyl-3-azabicyclo[3.3....)
Show SMILES COC1(C2CCCC1CN(C)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C16H23N3O2/c1-19-9-12-4-3-5-13(10-19)16(12,21-2)11-6-7-18-14(8-11)15(17)20/h6-8,12-13H,3-5,9-10H2,1-2H3,(H2,17,20)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438889
PNG
(3-((1R,5S,9r)-9-methoxy-3-(oxetan-3-ylmethyl)-3-az...)
Show SMILES COC1(C2CCCC1CN(CC1COC1)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C20H28N2O3/c1-24-20(16-5-2-4-15(8-16)19(21)23)17-6-3-7-18(20)11-22(10-17)9-14-12-25-13-14/h2,4-5,8,14,17-18H,3,6-7,9-13H2,1H3,(H2,21,23)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438933
PNG
(US10604489, Compound 94)
Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C21H29N3O2/c1-26-21(15-5-6-23-19(10-15)20(22)25)16-3-2-4-17(21)12-24(11-16)18-8-13-7-14(13)9-18/h5-6,10,13-14,16-18H,2-4,7-9,11-12H2,1H3,(H2,22,25)/t13-,14+,16?,17?,18+,21?
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438939
PNG
(4-((1R,5S,9r)-3-((1H-pyrazol-5-yl)methyl)-9-methox...)
Show SMILES COC1(C2CCCC1CN(Cc1ccn[nH]1)C2)c1ccnc(c1)C(N)=O
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438945
PNG
(US10604489, Compound 106 | tert-butyl (3-phenylbic...)
Show SMILES COC1(C2CCCC1CN(C2)C12CC(C1)(C2)c1ccccc1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C26H31N3O2/c1-31-26(19-10-11-28-22(12-19)23(27)30)20-8-5-9-21(26)14-29(13-20)25-15-24(16-25,17-25)18-6-3-2-4-7-18/h2-4,6-7,10-12,20-21H,5,8-9,13-17H2,1H3,(H2,27,30)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438958
PNG
(4-((1R,5S,9r)-3-((1H-indol-2-yl)methyl)-9-methoxy-...)
Show SMILES COC1(C2CCCC1CN(Cc1cc3ccccc3[nH]1)C2)c1ccnc(c1)C(N)=O
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438986
PNG
(3-((1R,5S,9r)-9-methoxy-34(2-methyl-1H-imidazol-4-...)
Show SMILES COC1(C2CCCC1CN(Cc1cnc(C)[nH]1)C2)c1cccc(c1)C(N)=O
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438996
PNG
(US10604489, Compound 175)
Show SMILES COC1(C2CCCC1CN(C[C@@H]1[C@@H]3COC[C@H]13)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H30N2O3/c1-26-22(15-5-2-4-14(8-15)21(23)25)16-6-3-7-17(22)10-24(9-16)11-18-19-12-27-13-20(18)19/h2,4-5,8,16-20H,3,6-7,9-13H2,1H3,(H2,23,25)/t16?,17?,18-,19+,20-,22?
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438839
PNG
(3-((1R,5S,9r)-9-methoxy-3-(2-oxaspiro[3.5]nonan-7-...)
Show SMILES COC1(C2CCCC1CN(C2)C1CCC2(COC2)CC1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C24H34N2O3/c1-28-24(18-5-2-4-17(12-18)22(25)27)19-6-3-7-20(24)14-26(13-19)21-8-10-23(11-9-21)15-29-16-23/h2,4-5,12,19-21H,3,6-11,13-16H2,1H3,(H2,25,27)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438935
PNG
(4-((1R,5S,9r)-3-((1H-imidazol-5-yl)methyl)-9-metho...)
Show SMILES COC1(C2CCCC1CN(Cc1cnc[nH]1)C2)c1ccnc(c1)C(N)=O
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438967
PNG
(3-((1R,5S,9r)-9-methoxy-3-(2-methoxyethyl)-3-azabi...)
Show SMILES COCCN1CC2CCCC(C1)C2(OC)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C19H28N2O3/c1-23-10-9-21-12-16-7-4-8-17(13-21)19(16,24-2)15-6-3-5-14(11-15)18(20)22/h3,5-6,11,16-17H,4,7-10,12-13H2,1-2H3,(H2,20,22)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438981
PNG
(4-((1R,5S,9r)-3-((1H-indazol-3-yl)methyl)-9-methox...)
Show SMILES COC1(C2CCCC1CN(Cc1n[nH]c3ccccc13)C2)c1ccnc(c1)C(N)=O
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438985
PNG
(US10604489, Compound 148)
Show SMILES COC1(C2CCCC1CN(C[C@H]1CCOC1)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H30N2O3/c1-25-21(17-5-2-4-16(10-17)20(22)24)18-6-3-7-19(21)13-23(12-18)11-15-8-9-26-14-15/h2,4-5,10,15,18-19H,3,6-9,11-14H2,1H3,(H2,22,24)/t15-,18?,19?,21?/m1/s1
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438846
PNG
(3-((1R,5S,9r)-3-(bicyclo[3.1.0]hexan-3-yl)-9-metho...)
Show SMILES COC1(C2CCCC1CN(C2)C1C[C@@H]2C[C@@H]2C1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H30N2O2/c1-26-22(17-5-2-4-14(9-17)21(23)25)18-6-3-7-19(22)13-24(12-18)20-10-15-8-16(15)11-20/h2,4-5,9,15-16,18-20H,3,6-8,10-13H2,1H3,(H2,23,25)/t15-,16+,18?,19?,20?,22?
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438880
PNG
(3-((1R,5S,9r)-3-cyclobutyl-9-methoxy-3-azabicyclo[...)
Show SMILES COC1(C2CCCC1CN(C2)C1CCC1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C20H28N2O2/c1-24-20(15-6-2-5-14(11-15)19(21)23)16-7-3-8-17(20)13-22(12-16)18-9-4-10-18/h2,5-6,11,16-18H,3-4,7-10,12-13H2,1H3,(H2,21,23)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438926
PNG
(US10604489, Compound 87)
Show SMILES COC1(C2CCCC1CN(C2)C1C[C@@H](C1)c1ccccc1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C25H31N3O2/c1-30-25(19-10-11-27-23(14-19)24(26)29)20-8-5-9-21(25)16-28(15-20)22-12-18(13-22)17-6-3-2-4-7-17/h2-4,6-7,10-11,14,18,20-22H,5,8-9,12-13,15-16H2,1H3,(H2,26,29)/t18-,20?,21?,22?,25?
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438936
PNG
(5-((1R,5S,9r)-3-(2-(1,1-dioxidoisothiazolidin-2-yl...)
Show SMILES COC1(C2CCCC1CN(CCN1CCCS1(=O)=O)C2)c1ccc(s1)C(N)=O
Show InChI InChI=1S/C19H29N3O4S2/c1-26-19(17-7-6-16(27-17)18(20)23)14-4-2-5-15(19)13-21(12-14)9-10-22-8-3-11-28(22,24)25/h6-7,14-15H,2-5,8-13H2,1H3,(H2,20,23)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438965
PNG
(4-((1R,5S,9r)-3-((1H-indol-3-yl)methyl)-9-methoxy-...)
Show SMILES COC1(C2CCCC1CN(Cc1c[nH]c3ccccc13)C2)c1ccnc(c1)C(N)=O
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438977
PNG
(3-((1R,5S,9r)-3-(2-cyclopropylethyl)-9-methoxy-3-a...)
Show SMILES COC1(C2CCCC1CN(CCC1CC1)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H30N2O2/c1-25-21(17-5-2-4-16(12-17)20(22)24)18-6-3-7-19(21)14-23(13-18)11-10-15-8-9-15/h2,4-5,12,15,18-19H,3,6-11,13-14H2,1H3,(H2,22,24)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438997
PNG
(US10604489, Compound 176)
Show SMILES COC1(C2CCCC1CN(C[C@H]1[C@@H]3COC[C@H]13)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H30N2O3/c1-26-22(15-5-2-4-14(8-15)21(23)25)16-6-3-7-17(22)10-24(9-16)11-18-19-12-27-13-20(18)19/h2,4-5,8,16-20H,3,6-7,9-13H2,1H3,(H2,23,25)/t16?,17?,18-,19-,20+,22?
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM439010
PNG
(US10604489, Compound 200)
Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H28F2N2O2/c1-28-21(14-5-2-4-13(8-14)20(25)27)15-6-3-7-16(21)12-26(11-15)17-9-18-19(10-17)22(18,23)24/h2,4-5,8,15-19H,3,6-7,9-12H2,1H3,(H2,25,27)/t15?,16?,17-,18+,19-,21?
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438841
PNG
(3-((1R,5S,9r)-9-methoxy-3-(7-oxaspiro[3.5]nonan-2-...)
Show SMILES COC1(C2CCCC1CN(C2)C1CC2(C1)CCOCC2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C24H34N2O3/c1-28-24(18-5-2-4-17(12-18)22(25)27)19-6-3-7-20(24)16-26(15-19)21-13-23(14-21)8-10-29-11-9-23/h2,4-5,12,19-21H,3,6-11,13-16H2,1H3,(H2,25,27)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438859
PNG
(3-((1R,5S,9r)-9-methoxy-3-azabicyclo[3.3.1]nonan-9...)
Show SMILES COC1(C2CCCC1CN(CC1CC1)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C20H28N2O2/c1-24-20(16-5-2-4-15(10-16)19(21)23)17-6-3-7-18(20)13-22(12-17)11-14-8-9-14/h2,4-5,10,14,17-18H,3,6-9,11-13H2,1H3,(H2,21,23)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438878
PNG
(3-((1R,5S,9r)-3-((1-fluorocyclopropyl)methyl)-9-me...)
Show SMILES COC1(C2CCCC1CN(CC1(F)CC1)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C20H27FN2O2/c1-25-20(15-5-2-4-14(10-15)18(22)24)16-6-3-7-17(20)12-23(11-16)13-19(21)8-9-19/h2,4-5,10,16-17H,3,6-9,11-13H2,1H3,(H2,22,24)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438884
PNG
(1-((tetrahydro-2H-pyran-2-yl)oxy)cyclopropanecarbo...)
Show SMILES COC1(C2CCCC1CN(CC1(O)CC1)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C20H28N2O3/c1-25-20(15-5-2-4-14(10-15)18(21)23)16-6-3-7-17(20)12-22(11-16)13-19(24)8-9-19/h2,4-5,10,16-17,24H,3,6-9,11-13H2,1H3,(H2,21,23)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438995
PNG
(4-((1R,5S,9r)-9-methoxy-3-(2-oxaspiro[3.5]nonan-7-...)
Show SMILES COC1(C2CCCC1CN(C2)C1CCC2(COC2)CC1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C23H33N3O3/c1-28-23(16-7-10-25-20(11-16)21(24)27)17-3-2-4-18(23)13-26(12-17)19-5-8-22(9-6-19)14-29-15-22/h7,10-11,17-19H,2-6,8-9,12-15H2,1H3,(H2,24,27)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438837
PNG
(3-((1R,5S,9r)-3-((1,1-dioxidotetrahydro-2H-thiopyr...)
Show SMILES COC1(C2CCCC1CN(CC1CCS(=O)(=O)CC1)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H32N2O4S/c1-28-22(18-5-2-4-17(12-18)21(23)25)19-6-3-7-20(22)15-24(14-19)13-16-8-10-29(26,27)11-9-16/h2,4-5,12,16,19-20H,3,6-11,13-15H2,1H3,(H2,23,25)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438954
PNG
(4-((1R,5S,9r)-9-methoxy-3-((tetrahydro-2H-pyran-4-...)
Show SMILES COC1(C2CCCC1CN(Cc1cnco1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C19H24N4O3/c1-25-19(13-5-6-22-17(7-13)18(20)24)14-3-2-4-15(19)10-23(9-14)11-16-8-21-12-26-16/h5-8,12,14-15H,2-4,9-11H2,1H3,(H2,20,24)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438960
PNG
(4-((1R,5S,9r)-9-methoxy-3-((1-methyl-1H-imidazol-5...)
Show SMILES COC1(C2CCCC1CN(Cc1cncn1C)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H27N5O2/c1-24-13-22-9-17(24)12-25-10-15-4-3-5-16(11-25)20(15,27-2)14-6-7-23-18(8-14)19(21)26/h6-9,13,15-16H,3-5,10-12H2,1-2H3,(H2,21,26)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438966
PNG
(4-((1R,5S,9r)-9-methoxy-3-((tetrahydro-2H-pyran-4-...)
Show SMILES COC1(C2CCCC1CN(CC1CCOCC1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C21H31N3O3/c1-26-21(16-5-8-23-19(11-16)20(22)25)17-3-2-4-18(21)14-24(13-17)12-15-6-9-27-10-7-15/h5,8,11,15,17-18H,2-4,6-7,9-10,12-14H2,1H3,(H2,22,25)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438891
PNG
(3-fluoro-4-((1R,5S,9r)-9-methoxy-3-methyl-3-azabic...)
Show SMILES COC1(C2CCCC1CN(C)C2)c1ccnc(C(N)=O)c1F
Show InChI InChI=1S/C16H22FN3O2/c1-20-8-10-4-3-5-11(9-20)16(10,22-2)12-6-7-19-14(13(12)17)15(18)21/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,18,21)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438927
PNG
(4-((1R,5S,9r)-3-(2-(1,1-dioxidoisothiazolidin-2-yl...)
Show SMILES COC1(C2CCCC1CN(CCN1CCCS1(=O)=O)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H30N4O4S/c1-28-20(15-6-7-22-18(12-15)19(21)25)16-4-2-5-17(20)14-23(13-16)9-10-24-8-3-11-29(24,26)27/h6-7,12,16-17H,2-5,8-11,13-14H2,1H3,(H2,21,25)
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3n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438974
PNG
(US10604489, Compound 135)
Show SMILES COC1(C2CCCC1CN(C[C@@H]1CCCO1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H29N3O3/c1-25-20(14-7-8-22-18(10-14)19(21)24)15-4-2-5-16(20)12-23(11-15)13-17-6-3-9-26-17/h7-8,10,15-17H,2-6,9,11-13H2,1H3,(H2,21,24)/t15?,16?,17-,20?/m0/s1
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438850
PNG
(US10604489, Compound 14)
Show SMILES COC1(C2CCCC1CN(C2)C1CC2CCC(C1)O2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H32N2O3/c1-27-23(16-5-2-4-15(10-16)22(24)26)17-6-3-7-18(23)14-25(13-17)19-11-20-8-9-21(12-19)28-20/h2,4-5,10,17-21H,3,6-9,11-14H2,1H3,(H2,24,26)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438883
PNG
(3-((1R,5S,9r)-9-methoxy-3-(tetrahydro-2H-pyran-4-y...)
Show SMILES COC1(C2CCCC1CN(C2)C1CCOCC1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H30N2O3/c1-25-21(16-5-2-4-15(12-16)20(22)24)17-6-3-7-18(21)14-23(13-17)19-8-10-26-11-9-19/h2,4-5,12,17-19H,3,6-11,13-14H2,1H3,(H2,22,24)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438907
PNG
((1R,5S)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.3.1]...)
Show SMILES COC1(C2CCCC1CN(Cc1cccnc1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C21H26N4O2/c1-27-21(16-7-9-24-19(10-16)20(22)26)17-5-2-6-18(21)14-25(13-17)12-15-4-3-8-23-11-15/h3-4,7-11,17-18H,2,5-6,12-14H2,1H3,(H2,22,26)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438909
PNG
(4-((1R,5S,9r)-9-methoxy-3-azabicyclo[3.3.1]nonan-9...)
Show SMILES COC1(C2CCCC1CNC2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C15H21N3O2/c1-20-15(10-5-6-18-13(7-10)14(16)19)11-3-2-4-12(15)9-17-8-11/h5-7,11-12,17H,2-4,8-9H2,1H3,(H2,16,19)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438911
PNG
(4-((1R,5S,9r)-3-((1-hydroxycyclopropyl)methyl)-9-m...)
Show SMILES COC1(C2CCCC1CN(CC1(O)CC1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C19H27N3O3/c1-25-19(13-5-8-21-16(9-13)17(20)23)14-3-2-4-15(19)11-22(10-14)12-18(24)6-7-18/h5,8-9,14-15,24H,2-4,6-7,10-12H2,1H3,(H2,20,23)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438915
PNG
(4-((1R,5S,9r)-3-isopropyl-9-methoxy-3-azabicyclo[3...)
Show SMILES COC1(C2CCCC1CN(C2)C(C)C)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C18H27N3O2/c1-12(2)21-10-14-5-4-6-15(11-21)18(14,23-3)13-7-8-20-16(9-13)17(19)22/h7-9,12,14-15H,4-6,10-11H2,1-3H3,(H2,19,22)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438942
PNG
(3-(bicyclo[1.1.1]pentan-1-yl)-1,5,3-dioxazepane | ...)
Show SMILES COC1(C2CCCC1CN(C2)C12CC(C1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H27N3O2/c1-25-20(14-5-6-22-17(7-14)18(21)24)15-3-2-4-16(20)12-23(11-15)19-8-13(9-19)10-19/h5-7,13,15-16H,2-4,8-12H2,1H3,(H2,21,24)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438956
PNG
(US10604489, Compound 117)
Show SMILES COC1(C2CCCC1CN(C2)[C@H]1CC[C@@H]1c1ccccc1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C25H31N3O2/c1-30-25(18-12-13-27-22(14-18)24(26)29)19-8-5-9-20(25)16-28(15-19)23-11-10-21(23)17-6-3-2-4-7-17/h2-4,6-7,12-14,19-21,23H,5,8-11,15-16H2,1H3,(H2,26,29)/t19?,20?,21-,23+,25?/m1/s1
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438865
PNG
(4-((1R,5S,9r)-3-(cyclopropylmethyl)-9-methoxy-3-az...)
Show SMILES COC1(C2CCCC1CN(CC1CC1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C19H27N3O2/c1-24-19(14-7-8-21-17(9-14)18(20)23)15-3-2-4-16(19)12-22(11-15)10-13-5-6-13/h7-9,13,15-16H,2-6,10-12H2,1H3,(H2,20,23)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438875
PNG
((1R,5S,9r)-9-(3-iodophenyl)-3-methyl-9-(2,2,2-trif...)
Show SMILES CN1CC2CCCC(C1)C2(OCC(F)(F)F)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C18H23F3N2O2/c1-23-9-14-6-3-7-15(10-23)18(14,25-11-17(19,20)21)13-5-2-4-12(8-13)16(22)24/h2,4-5,8,14-15H,3,6-7,9-11H2,1H3,(H2,22,24)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438882
PNG
((1R,5S,9r)-9-(4-bromopyridin-2-yl)-3-methyl-3-azab...)
Show SMILES COC1(C2CCCC1CN(C)C2)c1cc(ccn1)C(N)=O
Show InChI InChI=1S/C16H23N3O2/c1-19-9-12-4-3-5-13(10-19)16(12,21-2)14-8-11(15(17)20)6-7-18-14/h6-8,12-13H,3-5,9-10H2,1-2H3,(H2,17,20)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438906
PNG
(4-((1R,5S,9r)-9-methoxy-3-(pyridin-2-ylmethyl)-3-a...)
Show SMILES COC1(C2CCCC1CN(Cc1ccccn1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C21H26N4O2/c1-27-21(15-8-10-24-19(11-15)20(22)26)16-5-4-6-17(21)13-25(12-16)14-18-7-2-3-9-23-18/h2-3,7-11,16-17H,4-6,12-14H2,1H3,(H2,22,26)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438913
PNG
(4-((1R,5S,9r)-9-methoxy-3-(tetrahydrofuran-3-yl)-3...)
Show SMILES COC1(C2CCCC1CN(C2)C1CCOC1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C19H27N3O3/c1-24-19(13-5-7-21-17(9-13)18(20)23)14-3-2-4-15(19)11-22(10-14)16-6-8-25-12-16/h5,7,9,14-16H,2-4,6,8,10-12H2,1H3,(H2,20,23)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438930
PNG
(4-((1R,5S,9r)-9-methoxy-3-propyl-3-azabicyclo[3.3....)
Show SMILES CCCN1CC2CCCC(C1)C2(OC)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C18H27N3O2/c1-3-9-21-11-14-5-4-6-15(12-21)18(14,23-2)13-7-8-20-16(10-13)17(19)22/h7-8,10,14-15H,3-6,9,11-12H2,1-2H3,(H2,19,22)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438856
PNG
(US10604489, Compound 20)
Show SMILES COC1(C2CCCC1CN(C2)[C@H](C)c1cnc[nH]1)c1cccc(c1)C(N)=O
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438918
PNG
(US10604489, Compound 79)
Show SMILES COC1(C2CCCC1CN(C2)[C@H]1CCOC1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C19H27N3O3/c1-24-19(13-5-7-21-17(9-13)18(20)23)14-3-2-4-15(19)11-22(10-14)16-6-8-25-12-16/h5,7,9,14-16H,2-4,6,8,10-12H2,1H3,(H2,20,23)/t14?,15?,16-,19?/m0/s1
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438922
PNG
(4-((1R,5S,9r)-9-methoxy-3-(2-methoxyethyl)-3-azabi...)
Show SMILES COCCN1CC2CCCC(C1)C2(OC)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C18H27N3O3/c1-23-9-8-21-11-14-4-3-5-15(12-21)18(14,24-2)13-6-7-20-16(10-13)17(19)22/h6-7,10,14-15H,3-5,8-9,11-12H2,1-2H3,(H2,19,22)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438934
PNG
(5-((1R,5S,9r)-9-methoxy-3-(2-(2-oxoimidazolidin-1-...)
Show SMILES COC1(C2CCCC1CN(CCN1CCNC1=O)C2)c1ccc(s1)C(N)=O
Show InChI InChI=1S/C19H28N4O3S/c1-26-19(16-6-5-15(27-16)17(20)24)13-3-2-4-14(19)12-22(11-13)9-10-23-8-7-21-18(23)25/h5-6,13-14H,2-4,7-12H2,1H3,(H2,20,24)(H,21,25)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438946
PNG
(3-(tert-butyl)-1,5,3-dioxazepane | US10604489, Com...)
Show SMILES COC1(C2CCCC1CN(C2)C(C)(C)C)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C19H29N3O2/c1-18(2,3)22-11-14-6-5-7-15(12-22)19(14,24-4)13-8-9-21-16(10-13)17(20)23/h8-10,14-15H,5-7,11-12H2,1-4H3,(H2,20,23)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438984
PNG
(4-((1R,5S,9R)-9-methoxy-3-((1R,2R)-2-methylcyclobu...)
Show SMILES COC1(C2CCCC1CN(C2)[C@H]1CC[C@@H]1C)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H29N3O2/c1-13-6-7-18(13)23-11-15-4-3-5-16(12-23)20(15,25-2)14-8-9-22-17(10-14)19(21)24/h8-10,13,15-16,18H,3-7,11-12H2,1-2H3,(H2,21,24)/t13-,15?,16?,18-,20?/m0/s1
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438842
PNG
(4-((1R,5S,9r)-3-(4,4-difluorocyclohexyl)-9-methoxy...)
Show SMILES COC1(C2CCCC1CN(C2)C1CCC(F)(F)CC1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C21H29F2N3O2/c1-28-21(14-7-10-25-18(11-14)19(24)27)15-3-2-4-16(21)13-26(12-15)17-5-8-20(22,23)9-6-17/h7,10-11,15-17H,2-6,8-9,12-13H2,1H3,(H2,24,27)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438877
PNG
(2-fluoro-3-((1R,5S,9r)-9-methoxy-3-methyl-3-azabic...)
Show SMILES COC1(C2CCCC1CN(C)C2)c1cccc(C(N)=O)c1F
Show InChI InChI=1S/C17H23FN2O2/c1-20-9-11-5-3-6-12(10-20)17(11,22-2)14-8-4-7-13(15(14)18)16(19)21/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H2,19,21)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438917
PNG
(US10604489, Compound 78)
Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1CCOC1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C19H27N3O3/c1-24-19(13-5-7-21-17(9-13)18(20)23)14-3-2-4-15(19)11-22(10-14)16-6-8-25-12-16/h5,7,9,14-16H,2-4,6,8,10-12H2,1H3,(H2,20,23)/t14?,15?,16-,19?/m1/s1
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438921
PNG
(4-((1R,5S,9r)-3-(3,3-difluorocyclobutyl)-9-methoxy...)
Show SMILES COC1(C2CCCC1CN(C2)C1CC(F)(F)C1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C19H25F2N3O2/c1-26-19(12-5-6-23-16(7-12)17(22)25)13-3-2-4-14(19)11-24(10-13)15-8-18(20,21)9-15/h5-7,13-15H,2-4,8-11H2,1H3,(H2,22,25)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438951
PNG
((1R,5S,9r)-3-(bicyclo[1.1.1]pentan-1-yl)-9-(5-brom...)
Show SMILES COC1(C2CCCC1CN(C2)C12CC(C1)C2)c1ccc(s1)C(N)=O
Show InChI InChI=1S/C19H26N2O2S/c1-23-19(16-6-5-15(24-16)17(20)22)13-3-2-4-14(19)11-21(10-13)18-7-12(8-18)9-18/h5-6,12-14H,2-4,7-11H2,1H3,(H2,20,22)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM439012
PNG
(US10604489, Compound 203)
Show SMILES COC1(C2CCCC1CN(C2)C1CC2CCC(C1)O2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H32N2O3/c1-27-23(16-5-2-4-15(10-16)22(24)26)17-6-3-7-18(23)14-25(13-17)19-11-20-8-9-21(12-19)28-20/h2,4-5,10,17-21H,3,6-9,11-14H2,1H3,(H2,24,26)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438888
PNG
(3-((1R,5S,9r)-9-methoxy-3-(oxetan-3-yl)-3-azabicyc...)
Show SMILES COC1(C2CCCC1CN(C2)C1COC1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C19H26N2O3/c1-23-19(14-5-2-4-13(8-14)18(20)22)15-6-3-7-16(19)10-21(9-15)17-11-24-12-17/h2,4-5,8,15-17H,3,6-7,9-12H2,1H3,(H2,20,22)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438900
PNG
(US10604489, Compound 61)
Show SMILES COC[C@H](C)N1CC2CCCC(C1)C2(OC)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C19H29N3O3/c1-13(12-24-2)22-10-15-5-4-6-16(11-22)19(15,25-3)14-7-8-21-17(9-14)18(20)23/h7-9,13,15-16H,4-6,10-12H2,1-3H3,(H2,20,23)/t13-,15?,16?,19?/m0/s1
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438925
PNG
(4-((1R,5S,9r)-3-(2-cyclopropylethyl)-9-methoxy-3-a...)
Show SMILES COC1(C2CCCC1CN(CCC1CC1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H29N3O2/c1-25-20(15-7-9-22-18(11-15)19(21)24)16-3-2-4-17(20)13-23(12-16)10-8-14-5-6-14/h7,9,11,14,16-17H,2-6,8,10,12-13H2,1H3,(H2,21,24)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438929
PNG
(4-((1R,5S,9r)-3-cyclobutyl-9-methoxy-3-azabicyclo[...)
Show SMILES COC1(C2CCCC1CN(C2)C1CCC1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C19H27N3O2/c1-24-19(13-8-9-21-17(10-13)18(20)23)14-4-2-5-15(19)12-22(11-14)16-6-3-7-16/h8-10,14-16H,2-7,11-12H2,1H3,(H2,20,23)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438932
PNG
(US10604489, Compound 93)
Show SMILES COC1(C2CCCC1CN(C2)[C@H]1C[C@@H]2C[C@@H]2C1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C21H29N3O2/c1-26-21(15-5-6-23-19(10-15)20(22)25)16-3-2-4-17(21)12-24(11-16)18-8-13-7-14(13)9-18/h5-6,10,13-14,16-18H,2-4,7-9,11-12H2,1H3,(H2,22,25)/t13-,14+,16?,17?,18-,21?
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3n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438938
PNG
(4-((1R,5S,9r)-3-((1H-imidazol-2-yl)methyl)-9-metho...)
Show SMILES COC1(C2CCCC1CN(Cc1ncc[nH]1)C2)c1ccnc(c1)C(N)=O
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438940
PNG
(5-((1R,5S,9r)-3-cyclohexyl-9-methoxy-3-azabicyclo[...)
Show SMILES COC1(C2CCCC1CN(C2)C1CCCCC1)c1ccc(s1)C(N)=O
Show InChI InChI=1S/C20H30N2O2S/c1-24-20(18-11-10-17(25-18)19(21)23)14-6-5-7-15(20)13-22(12-14)16-8-3-2-4-9-16/h10-11,14-16H,2-9,12-13H2,1H3,(H2,21,23)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438957
PNG
(4-((1R,5S,9R)-9-methoxy-3-((R)-pentan-2-yl)-3-azab...)
Show SMILES CCCC(C)N1CC2CCCC(C1)C2(OC)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H31N3O2/c1-4-6-14(2)23-12-16-7-5-8-17(13-23)20(16,25-3)15-9-10-22-18(11-15)19(21)24/h9-11,14,16-17H,4-8,12-13H2,1-3H3,(H2,21,24)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438971
PNG
(US10604489, Compound 132)
Show SMILES COC1(C2CCCC1CN(C2)[C@H]1CCCOC1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H29N3O3/c1-25-20(14-7-8-22-18(10-14)19(21)24)15-4-2-5-16(20)12-23(11-15)17-6-3-9-26-13-17/h7-8,10,15-17H,2-6,9,11-13H2,1H3,(H2,21,24)/t15?,16?,17-,20?/m0/s1
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438976
PNG
(4-((1R,5S,9R)-9-methoxy-3-((R)-pentan-2-yl)-3-azab...)
Show SMILES CCC[C@@H](C)N1CC2CCCC(C1)C2(OC)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H31N3O2/c1-4-6-14(2)23-12-16-7-5-8-17(13-23)20(16,25-3)15-9-10-22-18(11-15)19(21)24/h9-11,14,16-17H,4-8,12-13H2,1-3H3,(H2,21,24)/t14-,16?,17?,20?/m1/s1
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438987
PNG
(3-((1R,5S,9r)-9-methoxy-3-(2-(methylsulfonyl)ethyl...)
Show SMILES COC1(C2CCCC1CN(CCS(C)(=O)=O)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C19H28N2O4S/c1-25-19(15-6-3-5-14(11-15)18(20)22)16-7-4-8-17(19)13-21(12-16)9-10-26(2,23)24/h3,5-6,11,16-17H,4,7-10,12-13H2,1-2H3,(H2,20,22)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438999
PNG
((1R,5S,9r)-3-benzyl-9-(3-iodophenyl)-9-ethoxy-3-az...)
Show SMILES CCOC1(C2CCCC1CNC2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C17H24N2O2/c1-2-21-17(13-6-3-5-12(9-13)16(18)20)14-7-4-8-15(17)11-19-10-14/h3,5-6,9,14-15,19H,2,4,7-8,10-11H2,1H3,(H2,18,20)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM439005
PNG
(US10604489, Compound 195)
Show SMILES COC1(C2CCCC1CN(C2)C1CCC(F)(F)CC1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C21H29F2N3O2/c1-28-21(14-7-10-25-18(11-14)19(24)27)15-3-2-4-16(21)13-26(12-15)17-5-8-20(22,23)9-6-17/h7,10-11,15-17H,2-6,8-9,12-13H2,1H3,(H2,24,27)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438897
PNG
(5-((1R,5S,9r)-3-(cyclopropylmethyl)-9-methoxy-3-az...)
Show SMILES COC1(C2CCCC1CN(CC1CC1)C2)c1cc(cs1)C(N)=O
Show InChI InChI=1S/C18H26N2O2S/c1-22-18(16-7-13(11-23-16)17(19)21)14-3-2-4-15(18)10-20(9-14)8-12-5-6-12/h7,11-12,14-15H,2-6,8-10H2,1H3,(H2,19,21)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438899
PNG
(US10604489, Compound 60)
Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1CCCOC1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H29N3O3/c1-25-20(14-7-8-22-18(10-14)19(21)24)15-4-2-5-16(20)12-23(11-15)17-6-3-9-26-13-17/h7-8,10,15-17H,2-6,9,11-13H2,1H3,(H2,21,24)/t15?,16?,17-,20?/m1/s1
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438905
PNG
((1R,5S,9r)-3-benzyl-9-(2-chloropyridin-4-yl)-3-aza...)
Show SMILES CCN1CC2CCCC(C1)C2(OC)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C17H25N3O2/c1-3-20-10-13-5-4-6-14(11-20)17(13,22-2)12-7-8-19-15(9-12)16(18)21/h7-9,13-14H,3-6,10-11H2,1-2H3,(H2,18,21)
PDB

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3n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438924
PNG
(4-((1R,5S,9r)-9-methoxy-3-(2-(2-oxoimidazolidin-1-...)
Show SMILES COC1(C2CCCC1CN(CCN1CCNC1=O)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H29N5O3/c1-28-20(14-5-6-22-17(11-14)18(21)26)15-3-2-4-16(20)13-24(12-15)9-10-25-8-7-23-19(25)27/h5-6,11,15-16H,2-4,7-10,12-13H2,1H3,(H2,21,26)(H,23,27)
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3n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438947
PNG
(4-((1R,5S,9r)-3-((1H-1,2,3-triazol-5-yl)methyl)-9-...)
Show SMILES COC1(C2CCCC1CN(Cc1cnn[nH]1)C2)c1ccnc(c1)C(N)=O
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3n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438961
PNG
(3-((1R,5S,9r)-9-methoxy-3-((tetrahydro-2H-pyran-4-...)
Show SMILES COC1(C2CCCC1CN(CC1CCOCC1)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H32N2O3/c1-26-22(18-5-2-4-17(12-18)21(23)25)19-6-3-7-20(22)15-24(14-19)13-16-8-10-27-11-9-16/h2,4-5,12,16,19-20H,3,6-11,13-15H2,1H3,(H2,23,25)
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3n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438962
PNG
(4-((1R,5S,9r)-9-methoxy-3-((1-methyl-1H-imidazol-4...)
Show SMILES COC1(C2CCCC1CN(Cc1cn(C)cn1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H27N5O2/c1-24-11-17(23-13-24)12-25-9-15-4-3-5-16(10-25)20(15,27-2)14-6-7-22-18(8-14)19(21)26/h6-8,11,13,15-16H,3-5,9-10,12H2,1-2H3,(H2,21,26)
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3n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438970
PNG
(US10604489, Compound 131)
Show SMILES COC1(C2CCCC1CN(C2)C1C[C@H](C)C1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H29N3O2/c1-13-8-17(9-13)23-11-15-4-3-5-16(12-23)20(15,25-2)14-6-7-22-18(10-14)19(21)24/h6-7,10,13,15-17H,3-5,8-9,11-12H2,1-2H3,(H2,21,24)/t13-,15?,16?,17?,20?
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3n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438894
PNG
((1R,5S)-3-(tetrahydro-2H-pyran-4-yl)-3-azabicyclo[...)
Show SMILES COC1(C2CCCC1CN(C2)C1CCOCC1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H29N3O3/c1-25-20(14-5-8-22-18(11-14)19(21)24)15-3-2-4-16(20)13-23(12-15)17-6-9-26-10-7-17/h5,8,11,15-17H,2-4,6-7,9-10,12-13H2,1H3,(H2,21,24)
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>5n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438953
PNG
(5-((1R,5S,9r)-3-(azetidin-3-yl)-9-methoxy-3-azabic...)
Show SMILES COC1(C2CCCC1CN(C2)C1CN(C1)C(C)=O)c1ccc(s1)C(N)=O
Show InChI InChI=1S/C19H27N3O3S/c1-12(23)21-10-15(11-21)22-8-13-4-3-5-14(9-22)19(13,25-2)17-7-6-16(26-17)18(20)24/h6-7,13-15H,3-5,8-11H2,1-2H3,(H2,20,24)
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>5n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM439004
PNG
(US10604489, Compound 188)
Show SMILES CCOC1(C2CCCC1CNC2)c1cc(ccc1Cl)C(N)=O
Show InChI InChI=1S/C17H23ClN2O2/c1-2-22-17(12-4-3-5-13(17)10-20-9-12)14-8-11(16(19)21)6-7-15(14)18/h6-8,12-13,20H,2-5,9-10H2,1H3,(H2,19,21)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438879
PNG
(2-fluoro-5-((1R,5S,9r)-9-methoxy-3-methyl-3-azabic...)
Show SMILES COC1(C2CCCC1CN(C)C2)c1ccc(F)c(c1)C(N)=O
Show InChI InChI=1S/C17H23FN2O2/c1-20-9-12-4-3-5-13(10-20)17(12,22-2)11-6-7-15(18)14(8-11)16(19)21/h6-8,12-13H,3-5,9-10H2,1-2H3,(H2,19,21)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438890
PNG
(3-hydroxy-5-((1R,5S,9r)-9-methoxy-3-methyl-3-azabi...)
Show SMILES COC1(C2CCCC1CN(C)C2)c1cc(O)cc(c1)C(N)=O
Show InChI InChI=1S/C17H24N2O3/c1-19-9-12-4-3-5-13(10-19)17(12,22-2)14-6-11(16(18)21)7-15(20)8-14/h6-8,12-13,20H,3-5,9-10H2,1-2H3,(H2,18,21)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438952
PNG
(4-((1R,5S,9r)-9-methoxy-3-(oxazol-2-ylmethyl)-3-az...)
Show SMILES COC1(C2CCCC1CN(Cc1ncco1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C19H24N4O3/c1-25-19(13-5-6-21-16(9-13)18(20)24)14-3-2-4-15(19)11-23(10-14)12-17-22-7-8-26-17/h5-9,14-15H,2-4,10-12H2,1H3,(H2,20,24)
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>5n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438959
PNG
(4-((1R,5S,9r)-34(6-hydroxypyridin-2-yl)methyl)-9-m...)
Show SMILES COC1(C2CCCC1CN(Cc1cccc(=O)[nH]1)C2)c1ccnc(c1)C(N)=O
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM439003
PNG
(US10604489, Compound 187)
Show SMILES NC(=O)c1cccc(c1)C1(OCCF)C2CCCC1CNC2
Show InChI InChI=1S/C17H23FN2O2/c18-7-8-22-17(13-4-1-3-12(9-13)16(19)21)14-5-2-6-15(17)11-20-10-14/h1,3-4,9,14-15,20H,2,5-8,10-11H2,(H2,19,21)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM439008
PNG
(US10604489, Compound 198)
Show SMILES COC1(C2CCCC1CN(CC1(F)CCOCC1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C21H30FN3O3/c1-27-21(15-5-8-24-18(11-15)19(23)26)16-3-2-4-17(21)13-25(12-16)14-20(22)6-9-28-10-7-20/h5,8,11,16-17H,2-4,6-7,9-10,12-14H2,1H3,(H2,23,26)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM439011
PNG
(US10604489, Compound 202)
Show SMILES COC1(C2CCCC1CN(C2)C1CC2CCC(C1)O2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C22H31N3O3/c1-27-22(14-7-8-24-20(9-14)21(23)26)15-3-2-4-16(22)13-25(12-15)17-10-18-5-6-19(11-17)28-18/h7-9,15-19H,2-6,10-13H2,1H3,(H2,23,26)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438845
PNG
(US10604489, Compound 10)
Show SMILES COC1(C2CCCC1CN(C2)C1CC2CCC(C1)O2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C22H31N3O3/c1-27-22(14-7-8-24-20(9-14)21(23)26)15-3-2-4-16(22)13-25(12-15)17-10-18-5-6-19(11-17)28-18/h7-9,15-19H,2-6,10-13H2,1H3,(H2,23,26)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438840
PNG
(4-((1R,5S,9r)-9-methoxy-3-(1-methylcyclopropyl)-3-...)
Show SMILES COC1(C2CCCC1CN(C2)C1(C)CC1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C19H27N3O2/c1-18(7-8-18)22-11-14-4-3-5-15(12-22)19(14,24-2)13-6-9-21-16(10-13)17(20)23/h6,9-10,14-15H,3-5,7-8,11-12H2,1-2H3,(H2,20,23)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438955
PNG
(US10604489, Compound 116)
Show SMILES COC1(C2CCCC1CN(C2)[C@H]1CC[C@H]1c1ccccc1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C25H31N3O2/c1-30-25(18-12-13-27-22(14-18)24(26)29)19-8-5-9-20(25)16-28(15-19)23-11-10-21(23)17-6-3-2-4-7-17/h2-4,6-7,12-14,19-21,23H,5,8-11,15-16H2,1H3,(H2,26,29)/t19?,20?,21-,23-,25?/m0/s1
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM439002
PNG
(US10604489, Compound 183)
Show SMILES CCOC1(C2CCCC1CNC2)c1ccc(F)c(c1)C(N)=O
Show InChI InChI=1S/C17H23FN2O2/c1-2-22-17(12-4-3-5-13(17)10-20-9-12)11-6-7-15(18)14(8-11)16(19)21/h6-8,12-13,20H,2-5,9-10H2,1H3,(H2,19,21)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438843
PNG
(4-((1R,5S,9r)-9-methoxy-3-(2-(methylsufonyl)ethyl)...)
Show SMILES COC1(C2CCCC1CN(CCS(C)(=O)=O)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C18H27N3O4S/c1-25-18(13-6-7-20-16(10-13)17(19)22)14-4-3-5-15(18)12-21(11-14)8-9-26(2,23)24/h6-7,10,14-15H,3-5,8-9,11-12H2,1-2H3,(H2,19,22)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438870
PNG
(3-((1R,5S,9r)-9-methoxy-3-(2,2,2-trifluoroethyl)-3...)
Show SMILES COC1(C2CCCC1CN(CC(F)(F)F)C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C18H23F3N2O2/c1-25-18(13-5-2-4-12(8-13)16(22)24)14-6-3-7-15(18)10-23(9-14)11-17(19,20)21/h2,4-5,8,14-15H,3,6-7,9-11H2,1H3,(H2,22,24)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438895
PNG
(4-((1R,5S,9r)-3-cyclopropyl-9-methoxy-3-azabicyclo...)
Show SMILES COC1(C2CCCC1CN(C2)C1CC1)c1ccnc(C(N)=O)c1F
Show InChI InChI=1S/C18H24FN3O2/c1-24-18(14-7-8-21-16(15(14)19)17(20)23)11-3-2-4-12(18)10-22(9-11)13-5-6-13/h7-8,11-13H,2-6,9-10H2,1H3,(H2,20,23)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438910
PNG
(5-((1R,5S,9r)-9-methoxy-3-(tetrahydro-2H-pyran-4-y...)
Show SMILES COC1(C2CCCC1CN(C2)C1CCOCC1)c1ccc(s1)C(N)=O
Show InChI InChI=1S/C19H28N2O3S/c1-23-19(17-6-5-16(25-17)18(20)22)13-3-2-4-14(19)12-21(11-13)15-7-9-24-10-8-15/h5-6,13-15H,2-4,7-12H2,1H3,(H2,20,22)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438923
PNG
(4-((1R,5S,9r)-3-(azetidin-3-yl)-9-methoxy-3-azabic...)
Show SMILES COC1(C2CCCC1CN(C2)C1CN(C1)C(C)=O)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H28N4O3/c1-13(25)23-11-17(12-23)24-9-15-4-3-5-16(10-24)20(15,27-2)14-6-7-22-18(8-14)19(21)26/h6-8,15-17H,3-5,9-12H2,1-2H3,(H2,21,26)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438975
PNG
(US10604489, Compound 136)
Show SMILES COC1(C2CCCC1CN(C[C@H]1CCCO1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H29N3O3/c1-25-20(14-7-8-22-18(10-14)19(21)24)15-4-2-5-16(20)12-23(11-15)13-17-6-3-9-26-17/h7-8,10,15-17H,2-6,9,11-13H2,1H3,(H2,21,24)/t15?,16?,17-,20?/m1/s1
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM439000
PNG
(US10604489, Compound 180)
Show SMILES CCOC1(C2CCCC1CNC2)c1cccc(C(N)=O)c1F
Show InChI InChI=1S/C17H23FN2O2/c1-2-22-17(11-5-3-6-12(17)10-20-9-11)14-8-4-7-13(15(14)18)16(19)21/h4,7-8,11-12,20H,2-3,5-6,9-10H2,1H3,(H2,19,21)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM439001
PNG
(US10604489, Compound 182)
Show SMILES NC(=O)c1cccc(c1)C1(OCC(F)F)C2CCCC1CNC2
Show InChI InChI=1S/C17H22F2N2O2/c18-15(19)10-23-17(12-4-1-3-11(7-12)16(20)22)13-5-2-6-14(17)9-21-8-13/h1,3-4,7,13-15,21H,2,5-6,8-10H2,(H2,20,22)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438908
PNG
(4-((1R,5S,9r)-9-methoxy-3-(pyridin-4-ylmethyl)-3-a...)
Show SMILES COC1(C2CCCC1CN(Cc1ccncc1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C21H26N4O2/c1-27-21(16-7-10-24-19(11-16)20(22)26)17-3-2-4-18(21)14-25(13-17)12-15-5-8-23-9-6-15/h5-11,17-18H,2-4,12-14H2,1H3,(H2,22,26)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438950
PNG
(4-((1R,5S,9r)-9-methoxy-3-(tetrahydro-2H-pyran-3-y...)
Show SMILES COC1(C2CCCC1CN(C2)C1CCCOC1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H29N3O3/c1-25-20(14-7-8-22-18(10-14)19(21)24)15-4-2-5-16(20)12-23(11-15)17-6-3-9-26-13-17/h7-8,10,15-17H,2-6,9,11-13H2,1H3,(H2,21,24)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438963
PNG
(4-((1R,5S,9r)-3-(isoxazol-5-ylmethyl)-9-methoxy-3-...)
Show SMILES COC1(C2CCCC1CN(Cc1ccno1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C19H24N4O3/c1-25-19(13-5-7-21-17(9-13)18(20)24)14-3-2-4-15(19)11-23(10-14)12-16-6-8-22-26-16/h5-9,14-15H,2-4,10-12H2,1H3,(H2,20,24)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438866
PNG
((1R,5S,9r)-9-(5-bromopyridin-3-yl)-3-(cyclopropylm...)
Show SMILES COC1(C2CCCC1CN(CC1CC1)C2)c1cncc(c1)C(N)=O
Show InChI InChI=1S/C19H27N3O2/c1-24-19(17-7-14(18(20)23)8-21-9-17)15-3-2-4-16(19)12-22(11-15)10-13-5-6-13/h7-9,13,15-16H,2-6,10-12H2,1H3,(H2,20,23)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438871
PNG
((1R,5S,9s)-9-(6-bromopyridin-2-yl)-3-methyl-3-azab...)
Show SMILES COC1(C2CCCC1CN(C)C2)c1cccc(n1)C(N)=O
Show InChI InChI=1S/C16H23N3O2/c1-19-9-11-5-3-6-12(10-19)16(11,21-2)14-8-4-7-13(18-14)15(17)20/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H2,17,20)
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>5n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438964
PNG
(4-((1R,5S,9r)-9-methoxy-3-((1-methyl-1H-1,2,3-tria...)
Show SMILES COC1(C2CCCC1CN(Cc1cnnn1C)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C19H26N6O2/c1-24-16(9-22-23-24)12-25-10-14-4-3-5-15(11-25)19(14,27-2)13-6-7-21-17(8-13)18(20)26/h6-9,14-15H,3-5,10-12H2,1-2H3,(H2,20,26)
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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438851
PNG
(4-((1R,5S,9r)-34(4-fluorotetrahydro-2H-pyran-4-yl)...)
Show SMILES COC1(C2CCCC1CN(CC1(F)CCOCC1)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C21H30FN3O3/c1-27-21(15-5-8-24-18(11-15)19(23)26)16-3-2-4-17(21)13-25(12-16)14-20(22)6-9-28-10-7-20/h5,8,11,16-17H,2-4,6-7,9-10,12-14H2,1H3,(H2,23,26)
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>5n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438869
PNG
((1R,5S,9r)-9-(4-(benzyloxy)phenyl)-3-(cyclopropylm...)
Show SMILES COC1(C2CCCC1CN(CC1CC1)C2)c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C20H28N2O2/c1-24-20(16-9-7-15(8-10-16)19(21)23)17-3-2-4-18(20)13-22(12-17)11-14-5-6-14/h7-10,14,17-18H,2-6,11-13H2,1H3,(H2,21,23)
PDB

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>5n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438901
PNG
(US10604489, Compound 62)
Show SMILES COC[C@@H](C)N1CC2CCCC(C1)C2(OC)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C19H29N3O3/c1-13(12-24-2)22-10-15-5-4-6-16(11-22)19(15,25-3)14-7-8-21-17(9-14)18(20)23/h7-9,13,15-16H,4-6,10-12H2,1-3H3,(H2,20,23)/t13-,15?,16?,19?/m1/s1
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>5n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438919
PNG
(4-((1R,5S,9r)-9-methoxy-3-(2-(2-oxooxazolidin-3-yl...)
Show SMILES COC1(C2CCCC1CN(CCN1CCOC1=O)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H28N4O4/c1-27-20(14-5-6-22-17(11-14)18(21)25)15-3-2-4-16(20)13-23(12-15)7-8-24-9-10-28-19(24)26/h5-6,11,15-16H,2-4,7-10,12-13H2,1H3,(H2,21,25)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438931
PNG
(4-((1R,5S,9r)-3-isobutyl-9-methoxy-3-azabicyclo[3....)
Show SMILES COC1(C2CCCC1CN(CC(C)C)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C19H29N3O2/c1-13(2)10-22-11-15-5-4-6-16(12-22)19(15,24-3)14-7-8-21-17(9-14)18(20)23/h7-9,13,15-16H,4-6,10-12H2,1-3H3,(H2,20,23)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438944
PNG
(4-((1R,5S,9r)-9-methoxy-3-neopentyl-3-azabicyclo[3...)
Show SMILES COC1(C2CCCC1CN(CC(C)(C)C)C2)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C20H31N3O2/c1-19(2,3)13-23-11-15-6-5-7-16(12-23)20(15,25-4)14-8-9-22-17(10-14)18(21)24/h8-10,15-16H,5-7,11-13H2,1-4H3,(H2,21,24)
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>5n/an/an/an/an/an/an/an/a



Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438949
PNG
(US10604489, Compound 110)
Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1CC[C@@H]1c1ccccc1)c1ccnc(c1)C(N)=O
Show InChI InChI=1S/C25H31N3O2/c1-30-25(18-12-13-27-22(14-18)24(26)29)19-8-5-9-20(25)16-28(15-19)23-11-10-21(23)17-6-3-2-4-7-17/h2-4,6-7,12-14,19-21,23H,5,8-11,15-16H2,1H3,(H2,26,29)/t19?,20?,21-,23-,25?/m1/s1
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

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


(Homo sapiens (Human))
BDBM438937
PNG
(5-((1R,5S,9r)-9-methoxy-3-(2-(2-oxooxazolidin-3-yl...)
Show SMILES COC1(C2CCCC1CN(CCN1CCOC1=O)C2)c1ccc(s1)C(N)=O
Show InChI InChI=1S/C19H27N3O4S/c1-25-19(16-6-5-15(27-16)17(20)23)13-3-2-4-14(19)12-21(11-13)7-8-22-9-10-26-18(22)24/h5-6,13-14H,2-4,7-12H2,1H3,(H2,20,23)
PDB

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Alkermes, Inc.

US Patent


Assay Description
Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...


US Patent US10604489 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%