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Compile Data Set for Download or QSAR

Found 1836 hits with Last Name = 'moustakas' and Initial = 'dt'   
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))		BDBM50292912
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C31H32N2O4/c34-24-10-9-21-16-25-31(36)12-11-23(32-29(35)22-8-7-19-3-1-2-4-20(19)15-22)28-30(31,26(21)27(24)37-28)13-14-33(25)17-18-5-6-18/h1-4,7-10,15,18,23,25,28,34,36H,5-6,11-14,16-17H2,(H,32,35)/t23-,25-,28+,30+,31-/m1/s1
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Article
PubMed
 0.00130n/an/an/an/an/an/an/an/a



Alkermes, Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human HA-tagged mu-opioid receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting analysis

J Med Chem 60: 3552-3579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01807
BindingDB Entry DOI: 10.7270/Q2DV1NBP
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 |TLB:10:9:2:5.4.6,15:2:9.8.14:5.4.6,THB:1:2:9.8.14:5.4.6|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM438996
PNG
(US10604489, Compound 175 | US11180455, Compound 17...)
Show SMILES COC1(C2CCCC1CN(C[C@@H]1[C@@H]3COC[C@H]13)C2)c1cccc(c1)C(N)=O |r,TLB:10:9:2:5.4.6,18:2:9.8.17:5.4.6,THB:1:2:9.8.17:5.4.6|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM438997
PNG
(US10604489, Compound 176 | US11180455, Compound 17...)
Show SMILES COC1(C2CCCC1CN(C[C@H]1[C@@H]3COC[C@H]13)C2)c1cccc(c1)C(N)=O |r,TLB:10:9:2:5.4.6,18:2:9.8.17:5.4.6,THB:1:2:9.8.17:5.4.6|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM438998
PNG
(US10604489, Compound 159 | US11180455, Compound 15...)
Show SMILES COC1(C2CCCC1CN(CCC(F)F)C2)c1cccc(c1)C(N)=O |TLB:10:9:2:5.4.6,16:2:9.8.15:5.4.6,THB:1:2:9.8.15:5.4.6|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:11:9:2:5.4.6,19:2:9.8.10:5.4.6,THB:1:2:9.8.10:5.4.6|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |r,TLB:11:9:2:5.4.6,19:2:9.8.10:5.4.6,THB:1:2:9.8.10:5.4.6|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |r,TLB:11:9:2:5.4.6,17:2:9.8.10:5.4.6,THB:1:2:9.8.10:5.4.6|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |r,TLB:11:9:2:5.4.6,19:2:9.8.10:5.4.6,THB:1:2:9.8.10:5.4.6|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM438838
PNG
(US10604489, Compound 2 | US11180455, Compound 2)
Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1C[C@H](F)C1)c1ccnc(c1)C(N)=O |r,wU:11.12,13.15,TLB:11:9:2:5.4.6,16:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9,(2.15,-2.41,;.81,-1.64,;.81,-.1,;.02,1.21,;.01,2.74,;-1.47,3.13,;-.67,1.82,;-.67,.29,;-2.16,-.1,;-2.93,1.23,;-1.45,.84,;-4.26,.46,;-5.75,.86,;-6.15,-.63,;-7.48,-1.4,;-4.66,-1.02,;2.15,.67,;2.15,2.21,;3.48,2.98,;4.81,2.21,;4.81,.67,;3.48,-.1,;6.15,-.1,;7.48,.67,;6.15,-1.64,)|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:11:9:2:5.4.6,20:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:11:9:2:5.4.6,20:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:11:9:2:5.4.6,19:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |r,TLB:11:9:2:5.4.6,17:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9|
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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:11:9:2:5.4.6,19:2:5.4.6:8.10.9,THB:9:11:18:14.15,1:2:5.4.6:8.10.9|
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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:11:9:2:5.4.6,20:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:11:9:2:5.4.6,19:2:5.4.6:8.10.9,THB:9:11:18:14.15,1:2:5.4.6:8.10.9|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |r,TLB:11:9:2:5.4.6,19:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9|
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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |r,TLB:11:9:2:5.4.6,19:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9|
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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM438855
PNG
(US10604489, Compound 19 | US11180455, Compound 19)
Show SMILES COC1(C2CCCC1CN(C2)[C@@H](C)c1cnc[nH]1)c1cccc(c1)C(N)=O |r,TLB:11:9:2:5.4.6,18:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9|
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:10:9:2:5.4.6,18:2:5.4.6:8.17.9,THB:1:2:5.4.6:8.17.9|
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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:10:9:2:5.4.6,15:2:5.4.6:8.14.9,THB:1:2:5.4.6:8.14.9|
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)
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:10:9:2:5.4.6,12:2:5.4.6:8.11.9,THB:1:2:5.4.6:8.11.9|
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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:19:2:5.4.6:8.18.9,10:9:2:5.4.6,THB:1:2:5.4.6:8.18.9|
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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:14:2:5.4.6:8.10.9,THB:11:9:2:5.4.6,1:2:5.4.6:8.10.9|
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)
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:10:9:2:5.4.6,16:2:5.4.6:8.15.9,THB:1:2:5.4.6:8.15.9|
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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:15:12:8.7.9:11.5.4,THB:3:4:12:8.7.9,13:12:8.7.9:11.5.4|
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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:11:10:3:6.5.7,16:3:6.5.7:9.15.10,THB:2:3:6.5.7:9.15.10|
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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:10:9:2:5.4.6,17:2:5.4.6:8.16.9,THB:1:2:5.4.6:8.16.9|
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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:11:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9|
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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:10:9:2:5.4.6,15:2:5.4.6:8.14.9,THB:1:2:5.4.6:8.14.9|
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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:11:9:2:5.4.6,14:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9|
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)
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:10:9:2:5.4.6,16:2:5.4.6:8.15.9,THB:1:2:5.4.6:8.15.9|
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)
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:11:9:2:5.4.6,15:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9|
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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:10:9:2:5.4.6,12:2:5.4.6:8.11.9,THB:1:2:5.4.6:8.11.9|
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)
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:10:9:2:5.4.6,21:2:5.4.6:8.20.9,THB:1:2:5.4.6:8.20.9|
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TBA

Assay Description
The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24J0J91
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 |TLB:10:9:2:5.4.6,20:2:5.4.6:8.19.9,THB:1:2:5.4.6:8.19.9|
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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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24J0J91
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 |TLB:10:9:2:5.4.6,22:2:5.4.6:8.21.9,THB:1:2:5.4.6:8.21.9|
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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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24J0J91
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 |TLB:10:9:2:5.4.6,17:2:8.16.9:5.4.6,THB:1:2:8.16.9:5.4.6|
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TBA

Assay Description
The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24J0J91
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 |TLB:11:9:2:5.4.6,18:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9|
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


TBA

Assay Description
The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24J0J91
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 |TLB:11:9:2:5.4.6,18:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9|
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


TBA

Assay Description
The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q24J0J91
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM438948
PNG
(US10604489, Compound 109 | US11180455, Compound 10...)
Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1CC[C@H]1c1ccccc1)c1ccnc(c1)C(N)=O |r,TLB:11:9:2:5.4.6,21:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:21:2:5.4.6:8.20.9,10:9:2:5.4.6,THB:1:2:5.4.6:8.20.9|
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:10:9:2:5.4.6,21:2:5.4.6:8.20.9,THB:1:2:5.4.6:8.20.9|
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:15:12:8.7.9:11.5.4,THB:3:4:12:8.7.9,13:12:8.7.9:11.5.4|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:11:9:2:5.4.6,18:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM438969
PNG
(US10604489, Compound 130 | US11180455, Compound 13...)
Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1C[C@H](C)C1)c1ccnc(c1)C(N)=O |r,wU:11.12,13.15,TLB:11:9:2:5.4.6,16:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9,(2.15,-2.77,;.81,-2,;.81,-.46,;.02,.85,;.01,2.38,;-1.47,2.77,;-.67,1.46,;-.67,-.07,;-2.16,-.46,;-2.93,.87,;-1.45,.48,;-4.26,.1,;-5.75,.5,;-6.15,-.99,;-7.48,-1.76,;-4.66,-1.38,;2.15,.31,;2.15,1.85,;3.48,2.62,;4.81,1.85,;4.81,.31,;3.48,-.46,;6.15,-.46,;7.48,.31,;6.15,-2,)|
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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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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:11:9:2:5.4.6,18:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |r,TLB:16:13:9.8.10:12.6.5,THB:3:5:13:9.8.10,14:13:9.8.10:12.6.5|
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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
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 |TLB:10:9:2:5.4.6,16:2:5.4.6:8.15.9,THB:1:2:5.4.6:8.15.9|
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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<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)


BindingDB Entry DOI: 10.7270/Q2RN3BWX
More data for this
Ligand-Target Pair
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