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Patent code US10702498

Compile Data Set for Download or QSAR
Found 27 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))
BDBM449138
PNG
(US10702498, Compound 12)
Show SMILES C[C@H](Cc1ccsc1)NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C
Show InChI InChI=1S/C19H27N3OS/c1-15(11-17-9-10-24-14-17)21-19(23)20-13-18(22(2)3)12-16-7-5-4-6-8-16/h4-10,14-15,18H,11-13H2,1-3H3,(H2,20,21,23)/p+1/t15-,18-/m1/s1
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42n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449170
PNG
(US10702498, Compound 14)
Show SMILES C[NH+](C)[C@H](CNC(=O)NCc1cccc(c1)[N+]([O-])=O)Cc1ccccc1
Show InChI InChI=1S/C19H24N4O3/c1-22(2)18(11-15-7-4-3-5-8-15)14-21-19(24)20-13-16-9-6-10-17(12-16)23(25)26/h3-10,12,18H,11,13-14H2,1-2H3,(H2,20,21,24)/p+1/t18-/m0/s1
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87n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449177
PNG
(US10702498, Compound 15)
Show SMILES C[NH+](C)[C@@H](CNC(=O)NCc1nc(C)c(C)s1)Cc1ccccc1
Show InChI InChI=1S/C18H26N4OS/c1-13-14(2)24-17(21-13)12-20-18(23)19-11-16(22(3)4)10-15-8-6-5-7-9-15/h5-9,16H,10-12H2,1-4H3,(H2,19,20,23)/p+1/t16-/m1/s1
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130n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449138
PNG
(US10702498, Compound 12)
Show SMILES C[C@H](Cc1ccsc1)NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C
Show InChI InChI=1S/C19H27N3OS/c1-15(11-17-9-10-24-14-17)21-19(23)20-13-18(22(2)3)12-16-7-5-4-6-8-16/h4-10,14-15,18H,11-13H2,1-3H3,(H2,20,21,23)/p+1/t15-,18-/m1/s1
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460n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449046
PNG
(US10702498, Compound 8)
Show SMILES CC(C)C(CNC(=O)c1ccc(s1)[N+]([O-])=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C19H23N3O3S/c1-13(2)16(21-10-9-14-5-3-4-6-15(14)12-21)11-20-19(23)17-7-8-18(26-17)22(24)25/h3-8,13,16H,9-12H2,1-2H3,(H,20,23)
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460n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449170
PNG
(US10702498, Compound 14)
Show SMILES C[NH+](C)[C@H](CNC(=O)NCc1cccc(c1)[N+]([O-])=O)Cc1ccccc1
Show InChI InChI=1S/C19H24N4O3/c1-22(2)18(11-15-7-4-3-5-8-15)14-21-19(24)20-13-16-9-6-10-17(12-16)23(25)26/h3-10,12,18H,11,13-14H2,1-2H3,(H2,20,21,24)/p+1/t18-/m0/s1
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510n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449139
PNG
(US10702498, Compound 13)
Show SMILES COc1nc(C)cc(C)c1CNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C
Show InChI InChI=1S/C21H30N4O2/c1-15-11-16(2)24-20(27-5)19(15)14-23-21(26)22-13-18(25(3)4)12-17-9-7-6-8-10-17/h6-11,18H,12-14H2,1-5H3,(H2,22,23,26)/p+1/t18-/m1/s1
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550n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449046
PNG
(US10702498, Compound 8)
Show SMILES CC(C)C(CNC(=O)c1ccc(s1)[N+]([O-])=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C19H23N3O3S/c1-13(2)16(21-10-9-14-5-3-4-6-15(14)12-21)11-20-19(23)17-7-8-18(26-17)22(24)25/h3-8,13,16H,9-12H2,1-2H3,(H,20,23)
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820n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449139
PNG
(US10702498, Compound 13)
Show SMILES COc1nc(C)cc(C)c1CNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C
Show InChI InChI=1S/C21H30N4O2/c1-15-11-16(2)24-20(27-5)19(15)14-23-21(26)22-13-18(25(3)4)12-17-9-7-6-8-10-17/h6-11,18H,12-14H2,1-5H3,(H2,22,23,26)/p+1/t18-/m1/s1
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1.02E+3n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449052
PNG
(US10702498, Compound 9)
Show SMILES O=C(Cc1cn2ccccc2n1)NCC1(CCC1)c1ccccc1
Show InChI InChI=1S/C20H21N3O/c24-19(13-17-14-23-12-5-4-9-18(23)22-17)21-15-20(10-6-11-20)16-7-2-1-3-8-16/h1-5,7-9,12,14H,6,10-11,13,15H2,(H,21,24)
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1.36E+3n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449090
PNG
(US10702498, Compound 11)
Show SMILES C[NH+](C)[C@@H](CNC(=O)NC[C@@H](O)c1cnn(C)c1)Cc1ccccc1
Show InChI InChI=1S/C18H27N5O2/c1-22(2)16(9-14-7-5-4-6-8-14)11-19-18(25)20-12-17(24)15-10-21-23(3)13-15/h4-8,10,13,16-17,24H,9,11-12H2,1-3H3,(H2,19,20,25)/p+1/t16-,17-/m1/s1
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1.86E+3n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449031
PNG
(US10702498, Compound 4)
Show SMILES C[NH+](C)[C@H](CNC(=O)Cc1ccc(s1)[N+]([O-])=O)Cc1ccccc1
Show InChI InChI=1S/C17H21N3O3S/c1-19(2)14(10-13-6-4-3-5-7-13)12-18-16(21)11-15-8-9-17(24-15)20(22)23/h3-9,14H,10-12H2,1-2H3,(H,18,21)/p+1/t14-/m0/s1
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2.30E+3n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449045
PNG
(US10702498, Compound 7)
Show SMILES C[NH+](C)[C@H](CNC(=O)Nc1cccnc1Cl)Cc1ccccc1
Show InChI InChI=1S/C17H21ClN4O/c1-22(2)14(11-13-7-4-3-5-8-13)12-20-17(23)21-15-9-6-10-19-16(15)18/h3-10,14H,11-12H2,1-2H3,(H2,20,21,23)/p+1/t14-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449033
PNG
(US10702498, Compound 5)
Show SMILES Cc1ccc2[nH]c(=O)c(CN3CC[NH2+][C@H](C3)c3ccccc3)cc2c1
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4.70E+3n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449069
PNG
(US10702498, Compound 10)
Show SMILES CN(Cc1nnc(C2CC2)n1C)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C
Show InChI InChI=1S/C20H30N6O/c1-24(2)17(12-15-8-6-5-7-9-15)13-21-20(27)25(3)14-18-22-23-19(26(18)4)16-10-11-16/h5-9,16-17H,10-14H2,1-4H3,(H,21,27)/p+1/t17-/m1/s1
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4.75E+3n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449028
PNG
(US10702498, Compound 2)
Show SMILES C[NH+](C)[C@H](CNC(=O)Cc1cn2ccccc2n1)Cc1ccccc1
Show InChI InChI=1S/C20H24N4O/c1-23(2)18(12-16-8-4-3-5-9-16)14-21-20(25)13-17-15-24-11-7-6-10-19(24)22-17/h3-11,15,18H,12-14H2,1-2H3,(H,21,25)/p+1/t18-/m0/s1
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5.80E+3n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449027
PNG
(US10702498, Compound 1)
Show SMILES Cn1cc(CNCCn2cnc3ccccc23)c(n1)-c1ccncc1
Show InChI InChI=1S/C19H20N6/c1-24-13-16(19(23-24)15-6-8-20-9-7-15)12-21-10-11-25-14-22-17-4-2-3-5-18(17)25/h2-9,13-14,21H,10-12H2,1H3
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7.20E+3n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449036
PNG
(US10702498, Compound 6)
Show SMILES [H][N]1(CC)CCC[C@H](C1)NC(=O)NCCc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C19H32N3O2/c1-4-22-13-5-6-17(14-22)21-19(23)20-12-11-16-7-9-18(10-8-16)24-15(2)3/h7-10,15,17,22H,4-6,11-14H2,1-3H3,(H2,20,21,23)/t17-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449030
PNG
(US10702498, Compound 3)
Show SMILES Cc1cccc(NC2CCN(CC2)C(=O)Nc2ccc(F)cc2F)n1
Show InChI InChI=1S/C18H20F2N4O/c1-12-3-2-4-17(21-12)22-14-7-9-24(10-8-14)18(25)23-16-6-5-13(19)11-15(16)20/h2-6,11,14H,7-10H2,1H3,(H,21,22)(H,23,25)
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1.38E+4n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449052
PNG
(US10702498, Compound 9)
Show SMILES O=C(Cc1cn2ccccc2n1)NCC1(CCC1)c1ccccc1
Show InChI InChI=1S/C20H21N3O/c24-19(13-17-14-23-12-5-4-9-18(23)22-17)21-15-20(10-6-11-20)16-7-2-1-3-8-16/h1-5,7-9,12,14H,6,10-11,13,15H2,(H,21,24)
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<5.00E+4n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449177
PNG
(US10702498, Compound 15)
Show SMILES C[NH+](C)[C@@H](CNC(=O)NCc1nc(C)c(C)s1)Cc1ccccc1
Show InChI InChI=1S/C18H26N4OS/c1-13-14(2)24-17(21-13)12-20-18(23)19-11-16(22(3)4)10-15-8-6-5-7-9-15/h5-9,16H,10-12H2,1-4H3,(H2,19,20,23)/p+1/t16-/m1/s1
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<5.00E+4n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449090
PNG
(US10702498, Compound 11)
Show SMILES C[NH+](C)[C@@H](CNC(=O)NC[C@@H](O)c1cnn(C)c1)Cc1ccccc1
Show InChI InChI=1S/C18H27N5O2/c1-22(2)16(9-14-7-5-4-6-8-14)11-19-18(25)20-12-17(24)15-10-21-23(3)13-15/h4-8,10,13,16-17,24H,9,11-12H2,1-3H3,(H2,19,20,25)/p+1/t16-,17-/m1/s1
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<5.00E+4n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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


(Homo sapiens (Human))
BDBM449069
PNG
(US10702498, Compound 10)
Show SMILES CN(Cc1nnc(C2CC2)n1C)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C
Show InChI InChI=1S/C20H30N6O/c1-24(2)17(12-15-8-6-5-7-9-15)13-21-20(27)25(3)14-18-22-23-19(26(18)4)16-10-11-16/h5-9,16-17H,10-14H2,1-4H3,(H,21,27)/p+1/t17-/m1/s1
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<5.00E+4n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

More data for this
Ligand-Target Pair
Tumor protein p53-inducible nuclear protein 2


(Human)
BDBM449139
PNG
(US10702498, Compound 13)
Show SMILES COc1nc(C)cc(C)c1CNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C
Show InChI InChI=1S/C21H30N4O2/c1-15-11-16(2)24-20(27-5)19(15)14-23-21(26)22-13-18(25(3)4)12-17-9-7-6-8-10-17/h6-11,18H,12-14H2,1-5H3,(H2,22,23,26)/p+1/t18-/m1/s1
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n/an/an/an/a 3.10E+3n/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

More data for this
Ligand-Target Pair
Tumor protein p53-inducible nuclear protein 2


(Human)
BDBM449046
PNG
(US10702498, Compound 8)
Show SMILES CC(C)C(CNC(=O)c1ccc(s1)[N+]([O-])=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C19H23N3O3S/c1-13(2)16(21-10-9-14-5-3-4-6-15(14)12-21)11-20-19(23)17-7-8-18(26-17)22(24)25/h3-8,13,16H,9-12H2,1-2H3,(H,20,23)
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n/an/an/an/a 6.60E+3n/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

More data for this
Ligand-Target Pair
Tumor protein p53-inducible nuclear protein 2


(Human)
BDBM449170
PNG
(US10702498, Compound 14)
Show SMILES C[NH+](C)[C@H](CNC(=O)NCc1cccc(c1)[N+]([O-])=O)Cc1ccccc1
Show InChI InChI=1S/C19H24N4O3/c1-22(2)18(11-15-7-4-3-5-8-15)14-21-19(24)20-13-16-9-6-10-17(12-16)23(25)26/h3-10,12,18H,11,13-14H2,1-2H3,(H2,20,21,24)/p+1/t18-/m0/s1
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n/an/an/an/a 440n/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

More data for this
Ligand-Target Pair
Tumor protein p53-inducible nuclear protein 2


(Human)
BDBM449138
PNG
(US10702498, Compound 12)
Show SMILES C[C@H](Cc1ccsc1)NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C
Show InChI InChI=1S/C19H27N3OS/c1-15(11-17-9-10-24-14-17)21-19(23)20-13-18(22(2)3)12-16-7-5-4-6-8-16/h4-10,14-15,18H,11-13H2,1-3H3,(H2,20,21,23)/p+1/t15-,18-/m1/s1
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n/an/an/an/a 180n/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

US Patent


Assay Description
For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...


US Patent US10702498 (2020)

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