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Patent code US11026958

Compile Data Set for Download or QSAR
Found 41 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
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501592
PNG
(US11026958, Example 11 | US11026958, Example C5)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1nccc(n1)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N4O2S/c20-19(21,22)13-7-12(9-24-10-13)17-5-6-25-18(26-17)16-8-15(16)11-1-3-14(4-2-11)29(23,27)28/h1-7,9-10,15-16H,8H2,(H2,23,27,28)
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n/an/an/an/a 240n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501612
PNG
(US11026958, Example D7)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1ccnc(n1)N1CCCC1
Show InChI InChI=1S/C17H20N4O2S/c18-24(22,23)13-5-3-12(4-6-13)14-11-15(14)16-7-8-19-17(20-16)21-9-1-2-10-21/h3-8,14-15H,1-2,9-11H2,(H2,18,22,23)
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n/an/an/an/a 900n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501527
PNG
(US11026958, Example 1 | US11026958, Example A2)
Show SMILES CC(C)c1cccc(n1)C1CC1c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O2S/c1-11(2)16-4-3-5-17(19-16)15-10-14(15)12-6-8-13(9-7-12)22(18,20)21/h3-9,11,14-15H,10H2,1-2H3,(H2,18,20,21)
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n/an/an/an/a 500n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501584
PNG
(US11026958, Example 3)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1cccc(n1)C1CCCC1
Show InChI InChI=1S/C19H22N2O2S/c20-24(22,23)15-10-8-13(9-11-15)16-12-17(16)19-7-3-6-18(21-19)14-4-1-2-5-14/h3,6-11,14,16-17H,1-2,4-5,12H2,(H2,20,22,23)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501587
PNG
(US11026958, Example 6)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1ccc(nc1)N1CCCC1
Show InChI InChI=1S/C18H21N3O2S/c19-24(22,23)15-6-3-13(4-7-15)16-11-17(16)14-5-8-18(20-12-14)21-9-1-2-10-21/h3-8,12,16-17H,1-2,9-11H2,(H2,19,22,23)
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n/an/an/an/a 720n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501590
PNG
(US11026958, Example 9)
Show SMILES CC1(C)[C@@H]([C@H]1c1nccc(n1)-c1cncc(c1)C(F)(F)F)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H19F3N4O2S/c1-20(2)17(12-3-5-15(6-4-12)31(25,29)30)18(20)19-27-8-7-16(28-19)13-9-14(11-26-10-13)21(22,23)24/h3-11,17-18H,1-2H3,(H2,25,29,30)/t17-,18+/m1/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501613
PNG
(US11026958, Example D8)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1ccnc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C19H17FN4O2S/c20-13-3-5-14(6-4-13)23-19-22-10-9-18(24-19)17-11-16(17)12-1-7-15(8-2-12)27(21,25)26/h1-10,16-17H,11H2,(H2,21,25,26)(H,22,23,24)
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n/an/an/an/a 3.80E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501583
PNG
(US11026958, Example 2)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1ccnc(n1)N1CCOCC1
Show InChI InChI=1S/C17H20N4O3S/c18-25(22,23)13-3-1-12(2-4-13)14-11-15(14)16-5-6-19-17(20-16)21-7-9-24-10-8-21/h1-6,14-15H,7-11H2,(H2,18,22,23)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501618
PNG
(US11026958, Example F2)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1cccc(c1)-n1cncn1
Show InChI InChI=1S/C17H16N4O2S/c18-24(22,23)15-6-4-12(5-7-15)16-9-17(16)13-2-1-3-14(8-13)21-11-19-10-20-21/h1-8,10-11,16-17H,9H2,(H2,18,22,23)
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n/an/an/an/a 5.20E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501619
PNG
(US11026958, Example G2)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1cncc(c1)N1CCCC1
Show InChI InChI=1S/C18H21N3O2S/c19-24(22,23)16-5-3-13(4-6-16)17-10-18(17)14-9-15(12-20-11-14)21-7-1-2-8-21/h3-6,9,11-12,17-18H,1-2,7-8,10H2,(H2,19,22,23)
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n/an/an/an/a 3.20E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501621
PNG
(US11026958, Example G4)
Show SMILES CC(C)Oc1ccc(cn1)C1CC1c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O3S/c1-11(2)22-17-8-5-13(10-19-17)16-9-15(16)12-3-6-14(7-4-12)23(18,20)21/h3-8,10-11,15-16H,9H2,1-2H3,(H2,18,20,21)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501588
PNG
(US11026958, Example 7)
Show SMILES Cc1nc(no1)-c1cccc(c1)C1CC1c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N3O3S/c1-11-20-18(21-24-11)14-4-2-3-13(9-14)17-10-16(17)12-5-7-15(8-6-12)25(19,22)23/h2-9,16-17H,10H2,1H3,(H2,19,22,23)
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n/an/an/an/a 320n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501589
PNG
(US11026958, Example 8)
Show SMILES CC(C)c1cc(ccn1)C1CC1c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O2S/c1-11(2)17-9-13(7-8-19-17)16-10-15(16)12-3-5-14(6-4-12)22(18,20)21/h3-9,11,15-16H,10H2,1-2H3,(H2,18,20,21)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501592
PNG
(US11026958, Example 11 | US11026958, Example C5)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1nccc(n1)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N4O2S/c20-19(21,22)13-7-12(9-24-10-13)17-5-6-25-18(26-17)16-8-15(16)11-1-3-14(4-2-11)29(23,27)28/h1-7,9-10,15-16H,8H2,(H2,23,27,28)
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n/an/an/an/a 3.30E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501622
PNG
(US11026958, Example G5)
Show SMILES CC(C)(C#N)c1ccc(cn1)C1CC1c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H19N3O2S/c1-18(2,11-19)17-8-5-13(10-21-17)16-9-15(16)12-3-6-14(7-4-12)24(20,22)23/h3-8,10,15-16H,9H2,1-2H3,(H2,20,22,23)
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n/an/an/an/a 3.40E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501585
PNG
(US11026958, Example 4 | US11026958, Example A13)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1ccc(cn1)C1CCCC1
Show InChI InChI=1S/C19H22N2O2S/c20-24(22,23)16-8-5-14(6-9-16)17-11-18(17)19-10-7-15(12-21-19)13-3-1-2-4-13/h5-10,12-13,17-18H,1-4,11H2,(H2,20,22,23)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501591
PNG
(US11026958, Example 10)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1nccc(n1)-c1cccc(F)c1
Show InChI InChI=1S/C19H16FN3O2S/c20-14-3-1-2-13(10-14)18-8-9-22-19(23-18)17-11-16(17)12-4-6-15(7-5-12)26(21,24)25/h1-10,16-17H,11H2,(H2,21,24,25)
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n/an/an/an/a 210n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501594
PNG
(US11026958, Example A11 | US11026958, Example A3)
Show SMILES CC(C)c1ccnc(c1)C1CC1c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O2S/c1-11(2)13-7-8-19-17(9-13)16-10-15(16)12-3-5-14(6-4-12)22(18,20)21/h3-9,11,15-16H,10H2,1-2H3,(H2,18,20,21)
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n/an/an/an/a 550n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501597
PNG
(US11026958, Example A8)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1cccc(n1)-c1cc[nH]n1
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n/an/an/an/a 3.30E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501598
PNG
(US11026958, Example A9)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1cccc(n1)C1CCOCC1
Show InChI InChI=1S/C19H22N2O3S/c20-25(22,23)15-6-4-13(5-7-15)16-12-17(16)19-3-1-2-18(21-19)14-8-10-24-11-9-14/h1-7,14,16-17H,8-12H2,(H2,20,22,23)
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n/an/an/an/a 5.60E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501602
PNG
(US11026958, Example B2)
Show SMILES CC(C)c1ccc(nn1)C1CC1c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O2S/c1-10(2)15-7-8-16(19-18-15)14-9-13(14)11-3-5-12(6-4-11)22(17,20)21/h3-8,10,13-14H,9H2,1-2H3,(H2,17,20,21)
PDB

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n/an/an/an/a 8.80E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501603
PNG
(US11026958, Example C1)
Show SMILES CC(C)c1cnc(nc1)[C@H]1C[C@H]1c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O2S/c1-10(2)12-8-18-16(19-9-12)15-7-14(15)11-3-5-13(6-4-11)22(17,20)21/h3-6,8-10,14-15H,7H2,1-2H3,(H2,17,20,21)/t14-,15-/m0/s1
PDB

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n/an/an/an/a 280n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501609
PNG
(US11026958, Example D2)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H22N4O2S/c19-25(23,24)14-7-5-12(6-8-14)15-11-16(15)17-9-10-20-18(22-17)21-13-3-1-2-4-13/h5-10,13,15-16H,1-4,11H2,(H2,19,23,24)(H,20,21,22)
PDB

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n/an/an/an/a 2.20E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501610
PNG
(US11026958, Example D4)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1nccc(n1)C1CC1c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H29N5O4S/c1-22(2,3)31-21(28)27-12-10-26(11-13-27)20-24-9-8-19(25-20)18-14-17(18)15-4-6-16(7-5-15)32(23,29)30/h4-9,17-18H,10-14H2,1-3H3,(H2,23,29,30)
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n/an/an/an/a 720n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501616
PNG
(US11026958, Example E3)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1ccnc(c1)C1CCC1
Show InChI InChI=1S/C18H20N2O2S/c19-23(21,22)15-6-4-12(5-7-15)16-11-17(16)14-8-9-20-18(10-14)13-2-1-3-13/h4-10,13,16-17H,1-3,11H2,(H2,19,21,22)
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n/an/an/an/a 500n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501617
PNG
(US11026958, Example F1)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C18H17N3O2S/c19-24(22,23)16-7-3-14(4-8-16)18-11-17(18)13-1-5-15(6-2-13)21-10-9-20-12-21/h1-10,12,17-18H,11H2,(H2,19,22,23)
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n/an/an/an/a 3.70E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501595
PNG
(US11026958, Example A6)
Show SMILES CC(C)c1ccc(nc1)C1CC1c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O2S/c1-11(2)13-5-8-17(19-10-13)16-9-15(16)12-3-6-14(7-4-12)22(18,20)21/h3-8,10-11,15-16H,9H2,1-2H3,(H2,18,20,21)
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n/an/an/an/a 700n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501601
PNG
(US11026958, Example B1)
Show SMILES CC(C)c1ccc(cn1)C1C(C1[Si](C)(C)C)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O2SSi/c1-13(2)17-11-8-15(12-22-17)19-18(20(19)26(3,4)5)14-6-9-16(10-7-14)25(21,23)24/h6-13,18-20H,1-5H3,(H2,21,23,24)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501586
PNG
(US11026958, Example 5 | US11026958, Example C3)
Show SMILES CC(C)c1ccnc(n1)C1CC1c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O2S/c1-10(2)15-7-8-18-16(19-15)14-9-13(14)11-3-5-12(6-4-11)22(17,20)21/h3-8,10,13-14H,9H2,1-2H3,(H2,17,20,21)
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n/an/an/an/a 1.80E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501605
PNG
(US11026958, Example C4)
Show SMILES NS(=O)(=O)c1ccc(cc1)[C@@H]1C[C@@H]1c1nccc(n1)-c1cccc(F)c1
Show InChI InChI=1S/C19H16FN3O2S/c20-14-3-1-2-13(10-14)18-8-9-22-19(23-18)17-11-16(17)12-4-6-15(7-5-12)26(21,24)25/h1-10,16-17H,11H2,(H2,21,24,25)/t16-,17-/m0/s1
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n/an/an/an/a 1.90E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501608
PNG
(US11026958, Example D1)
Show SMILES CN(C)c1nccc(n1)C1CC1c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H18N4O2S/c1-19(2)15-17-8-7-14(18-15)13-9-12(13)10-3-5-11(6-4-10)22(16,20)21/h3-8,12-13H,9H2,1-2H3,(H2,16,20,21)
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n/an/an/an/a 2.90E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501614
PNG
(US11026958, Example D10)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1ccnc(NCCc2ccccc2)n1
Show InChI InChI=1S/C21H22N4O2S/c22-28(26,27)17-8-6-16(7-9-17)18-14-19(18)20-11-13-24-21(25-20)23-12-10-15-4-2-1-3-5-15/h1-9,11,13,18-19H,10,12,14H2,(H2,22,26,27)(H,23,24,25)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501615
PNG
(US11026958, Example D11)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C19H18N4O2S/c20-26(24,25)15-8-6-13(7-9-15)16-12-17(16)18-10-11-21-19(23-18)22-14-4-2-1-3-5-14/h1-11,16-17H,12H2,(H2,20,24,25)(H,21,22,23)
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n/an/an/an/a 3.30E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501586
PNG
(US11026958, Example 5 | US11026958, Example C3)
Show SMILES CC(C)c1ccnc(n1)C1CC1c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O2S/c1-10(2)15-7-8-18-16(19-15)14-9-13(14)11-3-5-12(6-4-11)22(17,20)21/h3-8,10,13-14H,9H2,1-2H3,(H2,17,20,21)
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n/an/an/an/a 410n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501527
PNG
(US11026958, Example 1 | US11026958, Example A2)
Show SMILES CC(C)c1cccc(n1)C1CC1c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O2S/c1-11(2)16-4-3-5-17(19-16)15-10-14(15)12-6-8-13(9-7-12)22(18,20)21/h3-9,11,14-15H,10H2,1-2H3,(H2,18,20,21)
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n/an/an/an/a 410n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501585
PNG
(US11026958, Example 4 | US11026958, Example A13)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1ccc(cn1)C1CCCC1
Show InChI InChI=1S/C19H22N2O2S/c20-24(22,23)16-8-5-14(6-9-16)17-11-18(17)19-10-7-15(12-21-19)13-3-1-2-4-13/h5-10,12-13,17-18H,1-4,11H2,(H2,20,22,23)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501611
PNG
(US11026958, Example D5)
Show SMILES CC(C)(C)CNc1nccc(n1)C1CC1c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H24N4O2S/c1-18(2,3)11-21-17-20-9-8-16(22-17)15-10-14(15)12-4-6-13(7-5-12)25(19,23)24/h4-9,14-15H,10-11H2,1-3H3,(H2,19,23,24)(H,20,21,22)
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n/an/an/an/a 1.80E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501620
PNG
(US11026958, Example G3)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1CC1c1ccc(nc1)-n1cccn1
Show InChI InChI=1S/C17H16N4O2S/c18-24(22,23)14-5-2-12(3-6-14)15-10-16(15)13-4-7-17(19-11-13)21-9-1-8-20-21/h1-9,11,15-16H,10H2,(H2,18,22,23)
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n/an/an/an/a 870n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501596
PNG
(US11026958, Example A7)
Show SMILES CC(C)c1cccnc1C1CC1c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O2S/c1-11(2)14-4-3-9-19-17(14)16-10-15(16)12-5-7-13(8-6-12)22(18,20)21/h3-9,11,15-16H,10H2,1-2H3,(H2,18,20,21)
PDB

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n/an/an/an/a 2.40E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501607
PNG
(US11026958, Example C6)
Show SMILES NS(=O)(=O)c1ccc(cc1)[C@H]1[C@H](c2nccc(n2)-c2cccc(F)c2)C1(F)F
Show InChI InChI=1S/C19H14F3N3O2S/c20-13-3-1-2-12(10-13)15-8-9-24-18(25-15)17-16(19(17,21)22)11-4-6-14(7-5-11)28(23,26)27/h1-10,16-17H,(H2,23,26,27)/t16-,17+/m0/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM501594
PNG
(US11026958, Example A11 | US11026958, Example A3)
Show SMILES CC(C)c1ccnc(c1)C1CC1c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O2S/c1-11(2)13-7-8-19-17(9-13)16-10-15(16)12-3-5-14(6-4-12)22(18,20)21/h3-9,11,15-16H,10H2,1-2H3,(H2,18,20,21)
PDB

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n/an/an/an/a 460n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40...


US Patent US11026958 (2021)

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