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Patent code US10836728

Compile Data Set for Download or QSAR
Found 22 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM472704
PNG
(3-(1-(2-Chloro-4-fluorobenzyl)-3-((dimethylamino)m...)
Show SMILES CN(C)CC1CN(Cc2ccc(F)cc2Cl)CCC1(O)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H27ClFN3O2/c1-26(2)13-18-14-27(12-16-6-7-19(24)11-20(16)23)9-8-22(18,29)17-5-3-4-15(10-17)21(25)28/h3-7,10-11,18,29H,8-9,12-14H2,1-2H3,(H2,25,28)
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n/an/an/an/a 102n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
G-protein signaling was measured via second messenger cAMP modulation. Detection of cAMP modulation was accomplished in the PathHunter human OPRM1 (&...


US Patent US10836728 (2020)

More data for this
Ligand-Target Pair
Arrestin, beta 1


(Homo sapiens (Human))
BDBM472836
PNG
(3-[3-Dimethylaminomethyl-4-hydroxy-1-(3-phenyl-pro...)
Show SMILES CN(C)CC1CN(CCCc2ccccc2)CCC1(O)c1cccc(c1)C#N
Show InChI InChI=1S/C24H31N3O/c1-26(2)18-23-19-27(14-7-11-20-8-4-3-5-9-20)15-13-24(23,28)22-12-6-10-21(16-22)17-25/h3-6,8-10,12,16,23,28H,7,11,13-15,18-19H2,1-2H3
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n/an/an/an/a 270n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
The DISCOVERX PATHHUNTER® β-Arrestin assay is used to measure β-arrestin-2 activity. The technology is based on Enzyme Fragment Complementa...


US Patent US10836728 (2020)

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


(Homo sapiens (Human))
BDBM472721
PNG
(3-(3-((Dimethylamino)methyl)-4-hydroxy-1-phenethyl...)
Show SMILES CN(C)CC1CN(CCc2ccccc2)CCC1(O)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H31N3O2/c1-25(2)16-21-17-26(13-11-18-7-4-3-5-8-18)14-12-23(21,28)20-10-6-9-19(15-20)22(24)27/h3-10,15,21,28H,11-14,16-17H2,1-2H3,(H2,24,27)
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n/an/an/an/a 34n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
G-protein signaling was measured via second messenger cAMP modulation. Detection of cAMP modulation was accomplished in the PathHunter human OPRM1 (&...


US Patent US10836728 (2020)

More data for this
Ligand-Target Pair
Arrestin, beta 1


(Homo sapiens (Human))
BDBM472831
PNG
(US10836728, Compound (11))
Show SMILES CN(C)CC1CN(Cc2ccsc2)CCC1(O)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C20H27N3O2S/c1-22(2)12-18-13-23(11-15-6-9-26-14-15)8-7-20(18,25)17-5-3-4-16(10-17)19(21)24/h3-6,9-10,14,18,25H,7-8,11-13H2,1-2H3,(H2,21,24)
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n/an/an/an/a 1.07E+4n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
The DISCOVERX PATHHUNTER® β-Arrestin assay is used to measure β-arrestin-2 activity. The technology is based on Enzyme Fragment Complementa...


US Patent US10836728 (2020)

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


(Homo sapiens (Human))
BDBM472834
PNG
(US10836728, Compound (17))
Show SMILES COc1ccc(CCN2CCC(O)(C(CN(C)C)C2)c2cccc(c2)C(N)=O)cc1
Show InChI InChI=1S/C24H33N3O3/c1-26(2)16-21-17-27(13-11-18-7-9-22(30-3)10-8-18)14-12-24(21,29)20-6-4-5-19(15-20)23(25)28/h4-10,15,21,29H,11-14,16-17H2,1-3H3,(H2,25,28)
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n/an/an/an/a 467n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
G-protein signaling was measured via second messenger cAMP modulation. Detection of cAMP modulation was accomplished in the PathHunter human OPRM1 (&...


US Patent US10836728 (2020)

More data for this
Ligand-Target Pair
Arrestin, beta 1


(Homo sapiens (Human))
BDBM224017
PNG
((+)-Morphine | US10752592, Compound morphine | US1...)
Show SMILES CN1CC[C@]23[C@@H]4Oc5c2c(C[C@H]1[C@H]3C=C[C@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m1/s1
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n/an/an/an/a 310n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
The DISCOVERX PATHHUNTER® β-Arrestin assay is used to measure β-arrestin-2 activity. The technology is based on Enzyme Fragment Complementa...


US Patent US10836728 (2020)

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


(Homo sapiens (Human))
BDBM472831
PNG
(US10836728, Compound (11))
Show SMILES CN(C)CC1CN(Cc2ccsc2)CCC1(O)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C20H27N3O2S/c1-22(2)12-18-13-23(11-15-6-9-26-14-15)8-7-20(18,25)17-5-3-4-16(10-17)19(21)24/h3-6,9-10,14,18,25H,7-8,11-13H2,1-2H3,(H2,21,24)
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n/an/an/an/a 550n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
G-protein signaling was measured via second messenger cAMP modulation. Detection of cAMP modulation was accomplished in the PathHunter human OPRM1 (&...


US Patent US10836728 (2020)

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


(Homo sapiens (Human))
BDBM472835
PNG
(3-(3-((Dimethylamino)methyl)-4-hydroxy-1-(4-hydrox...)
Show SMILES CN(C)CC1CN(CCc2ccc(O)cc2)CCC1(O)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H31N3O3/c1-25(2)15-20-16-26(12-10-17-6-8-21(27)9-7-17)13-11-23(20,29)19-5-3-4-18(14-19)22(24)28/h3-9,14,20,27,29H,10-13,15-16H2,1-2H3,(H2,24,28)
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n/an/an/an/a 160n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
G-protein signaling was measured via second messenger cAMP modulation. Detection of cAMP modulation was accomplished in the PathHunter human OPRM1 (&...


US Patent US10836728 (2020)

More data for this
Ligand-Target Pair
Arrestin, beta 1


(Homo sapiens (Human))
BDBM472834
PNG
(US10836728, Compound (17))
Show SMILES COc1ccc(CCN2CCC(O)(C(CN(C)C)C2)c2cccc(c2)C(N)=O)cc1
Show InChI InChI=1S/C24H33N3O3/c1-26(2)16-21-17-27(13-11-18-7-9-22(30-3)10-8-18)14-12-24(21,29)20-6-4-5-19(15-20)23(25)28/h4-10,15,21,29H,11-14,16-17H2,1-3H3,(H2,25,28)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
The DISCOVERX PATHHUNTER® β-Arrestin assay is used to measure β-arrestin-2 activity. The technology is based on Enzyme Fragment Complementa...


US Patent US10836728 (2020)

More data for this
Ligand-Target Pair
Arrestin, beta 1


(Homo sapiens (Human))
BDBM472835
PNG
(3-(3-((Dimethylamino)methyl)-4-hydroxy-1-(4-hydrox...)
Show SMILES CN(C)CC1CN(CCc2ccc(O)cc2)CCC1(O)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H31N3O3/c1-25(2)15-20-16-26(12-10-17-6-8-21(27)9-7-17)13-11-23(20,29)19-5-3-4-18(14-19)22(24)28/h3-9,14,20,27,29H,10-13,15-16H2,1-2H3,(H2,24,28)
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n/an/an/an/a 3.10E+3n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
The DISCOVERX PATHHUNTER® β-Arrestin assay is used to measure β-arrestin-2 activity. The technology is based on Enzyme Fragment Complementa...


US Patent US10836728 (2020)

More data for this
Ligand-Target Pair
Arrestin, beta 1


(Homo sapiens (Human))
BDBM472704
PNG
(3-(1-(2-Chloro-4-fluorobenzyl)-3-((dimethylamino)m...)
Show SMILES CN(C)CC1CN(Cc2ccc(F)cc2Cl)CCC1(O)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H27ClFN3O2/c1-26(2)13-18-14-27(12-16-6-7-19(24)11-20(16)23)9-8-22(18,29)17-5-3-4-15(10-17)21(25)28/h3-7,10-11,18,29H,8-9,12-14H2,1-2H3,(H2,25,28)
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n/an/an/an/a 2.56E+3n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
The DISCOVERX PATHHUNTER® β-Arrestin assay is used to measure β-arrestin-2 activity. The technology is based on Enzyme Fragment Complementa...


US Patent US10836728 (2020)

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


(Homo sapiens (Human))
BDBM472715
PNG
(US10836728, Compound Ent-B-syn-(6))
Show SMILES CN(C)C[C@@H]1CN(Cc2ccc(F)cc2Cl)CC[C@@]1(O)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H27ClFN3O2/c1-26(2)13-18-14-27(12-16-6-7-19(24)11-20(16)23)9-8-22(18,29)17-5-3-4-15(10-17)21(25)28/h3-7,10-11,18,29H,8-9,12-14H2,1-2H3,(H2,25,28)/t18-,22-/m1/s1
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n/an/an/an/a 463n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
G-protein signaling was measured via second messenger cAMP modulation. Detection of cAMP modulation was accomplished in the PathHunter human OPRM1 (&...


US Patent US10836728 (2020)

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


(Homo sapiens (Human))
BDBM86253
PNG
(CAS_100929-53-1 | DAMGO | NSC_104742 | US10836728,...)
Show SMILES CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)C(Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)
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n/an/an/an/a 0n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
G-protein signaling was measured via second messenger cAMP modulation. Detection of cAMP modulation was accomplished in the PathHunter human OPRM1 (&...


US Patent US10836728 (2020)

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


(Homo sapiens (Human))
BDBM224017
PNG
((+)-Morphine | US10752592, Compound morphine | US1...)
Show SMILES CN1CC[C@]23[C@@H]4Oc5c2c(C[C@H]1[C@H]3C=C[C@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m1/s1
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n/an/an/an/a 60n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
G-protein signaling was measured via second messenger cAMP modulation. Detection of cAMP modulation was accomplished in the PathHunter human OPRM1 (&...


US Patent US10836728 (2020)

More data for this
Ligand-Target Pair
Arrestin, beta 1


(Homo sapiens (Human))
BDBM472714
PNG
(US10836728, Compound Ent-A-syn-(6))
Show SMILES CN(C)C[C@H]1CN(Cc2ccc(F)cc2Cl)CC[C@]1(O)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H27ClFN3O2/c1-26(2)13-18-14-27(12-16-6-7-19(24)11-20(16)23)9-8-22(18,29)17-5-3-4-15(10-17)21(25)28/h3-7,10-11,18,29H,8-9,12-14H2,1-2H3,(H2,25,28)/t18-,22-/m0/s1
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n/an/an/an/a 3.17E+3n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
The DISCOVERX PATHHUNTER® β-Arrestin assay is used to measure β-arrestin-2 activity. The technology is based on Enzyme Fragment Complementa...


US Patent US10836728 (2020)

More data for this
Ligand-Target Pair
Arrestin, beta 1


(Homo sapiens (Human))
BDBM472721
PNG
(3-(3-((Dimethylamino)methyl)-4-hydroxy-1-phenethyl...)
Show SMILES CN(C)CC1CN(CCc2ccccc2)CCC1(O)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H31N3O2/c1-25(2)16-21-17-26(13-11-18-7-4-3-5-8-18)14-12-23(21,28)20-10-6-9-19(15-20)22(24)27/h3-10,15,21,28H,11-14,16-17H2,1-2H3,(H2,24,27)
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n/an/an/an/a 830n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
The DISCOVERX PATHHUNTER® β-Arrestin assay is used to measure β-arrestin-2 activity. The technology is based on Enzyme Fragment Complementa...


US Patent US10836728 (2020)

More data for this
Ligand-Target Pair
Arrestin, beta 1


(Homo sapiens (Human))
BDBM472832
PNG
(US10836728, Compound (15))
Show SMILES CN(C)CC1CN(CCc2ccsc2)CCC1(O)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H29N3O2S/c1-23(2)13-19-14-24(9-6-16-7-11-27-15-16)10-8-21(19,26)18-5-3-4-17(12-18)20(22)25/h3-5,7,11-12,15,19,26H,6,8-10,13-14H2,1-2H3,(H2,22,25)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
The DISCOVERX PATHHUNTER® β-Arrestin assay is used to measure β-arrestin-2 activity. The technology is based on Enzyme Fragment Complementa...


US Patent US10836728 (2020)

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


(Homo sapiens (Human))
BDBM472836
PNG
(3-[3-Dimethylaminomethyl-4-hydroxy-1-(3-phenyl-pro...)
Show SMILES CN(C)CC1CN(CCCc2ccccc2)CCC1(O)c1cccc(c1)C#N
Show InChI InChI=1S/C24H31N3O/c1-26(2)18-23-19-27(14-7-11-20-8-4-3-5-9-20)15-13-24(23,28)22-12-6-10-21(16-22)17-25/h3-6,8-10,12,16,23,28H,7,11,13-15,18-19H2,1-2H3
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n/an/an/an/a 10n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
G-protein signaling was measured via second messenger cAMP modulation. Detection of cAMP modulation was accomplished in the PathHunter human OPRM1 (&...


US Patent US10836728 (2020)

More data for this
Ligand-Target Pair
Arrestin, beta 1


(Homo sapiens (Human))
BDBM86253
PNG
(CAS_100929-53-1 | DAMGO | NSC_104742 | US10836728,...)
Show SMILES CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)C(Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)
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n/an/an/an/a 60n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
The DISCOVERX PATHHUNTER® β-Arrestin assay is used to measure β-arrestin-2 activity. The technology is based on Enzyme Fragment Complementa...


US Patent US10836728 (2020)

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


(Homo sapiens (Human))
BDBM472714
PNG
(US10836728, Compound Ent-A-syn-(6))
Show SMILES CN(C)C[C@H]1CN(Cc2ccc(F)cc2Cl)CC[C@]1(O)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H27ClFN3O2/c1-26(2)13-18-14-27(12-16-6-7-19(24)11-20(16)23)9-8-22(18,29)17-5-3-4-15(10-17)21(25)28/h3-7,10-11,18,29H,8-9,12-14H2,1-2H3,(H2,25,28)/t18-,22-/m0/s1
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n/an/an/an/a 163n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
G-protein signaling was measured via second messenger cAMP modulation. Detection of cAMP modulation was accomplished in the PathHunter human OPRM1 (&...


US Patent US10836728 (2020)

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


(Homo sapiens (Human))
BDBM472832
PNG
(US10836728, Compound (15))
Show SMILES CN(C)CC1CN(CCc2ccsc2)CCC1(O)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H29N3O2S/c1-23(2)13-19-14-24(9-6-16-7-11-27-15-16)10-8-21(19,26)18-5-3-4-17(12-18)20(22)25/h3-5,7,11-12,15,19,26H,6,8-10,13-14H2,1-2H3,(H2,22,25)
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n/an/an/an/a 67n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
G-protein signaling was measured via second messenger cAMP modulation. Detection of cAMP modulation was accomplished in the PathHunter human OPRM1 (&...


US Patent US10836728 (2020)

More data for this
Ligand-Target Pair
Arrestin, beta 1


(Homo sapiens (Human))
BDBM472715
PNG
(US10836728, Compound Ent-B-syn-(6))
Show SMILES CN(C)C[C@@H]1CN(Cc2ccc(F)cc2Cl)CC[C@@]1(O)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H27ClFN3O2/c1-26(2)13-18-14-27(12-16-6-7-19(24)11-20(16)23)9-8-22(18,29)17-5-3-4-15(10-17)21(25)28/h3-7,10-11,18,29H,8-9,12-14H2,1-2H3,(H2,25,28)/t18-,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
n/an/an/an/a 3.67E+3n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
The DISCOVERX PATHHUNTER® β-Arrestin assay is used to measure β-arrestin-2 activity. The technology is based on Enzyme Fragment Complementa...


US Patent US10836728 (2020)

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