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Compile Data Set for Download or QSAR

Found 47 hits Enz. Inhib. hit(s) with all data for entry = 11448   
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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616928
PNG
(6-{3-[3-(3-fluoro-2- methylbenzenesulfonyl) propan...)
Show SMILES Cc1c(F)cccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616896
PNG
(US11752149, Example 4)
Show SMILES Fc1cccc(c1C1CC1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:15:17:24:20.21|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616894
PNG
(US11752149, Example 3)
Show SMILES COc1cc(ccc1F)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:14:16:23:19.20|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616973
PNG
(Synthesis of 6-(3-(3-((2-((R)-2,2-difluorocyclopro...)
Show SMILES FC1(F)C[C@@H]1c1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |r,THB:16:18:21.22:25|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616888
PNG
(US11752149, Example 1)
Show SMILES Ic1ccccc1S(=O)(=O)CCCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616900
PNG
(6-{3-[3-(3,5- difluorobenzenesulfonyl) propanoyl]-...)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616899
PNG
(6-{3-[3-(3- fluorobenzenesulfonyl)propanoyl]- 3,8-...)
Show SMILES Fc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:12:14:21:17.18|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616897
PNG
(US11752149, Example 5)
Show SMILES FC1(F)CC1c1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:16:18:25:21.22|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM616973
PNG
(Synthesis of 6-(3-(3-((2-((R)-2,2-difluorocyclopro...)
Show SMILES FC1(F)C[C@@H]1c1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |r,THB:16:18:21.22:25|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616890
PNG
(US11752149, Example 2)
Show SMILES COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM616973
PNG
(Synthesis of 6-(3-(3-((2-((R)-2,2-difluorocyclopro...)
Show SMILES FC1(F)C[C@@H]1c1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |r,THB:16:18:21.22:25|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616943
PNG
(6-(3-{3-[(2-cyclopropylpyridin- 3-yl)sulfonyl]prop...)
Show SMILES O=C(CCS(=O)(=O)c1cccnc1C1CC1)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:1:16:23:19.20|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616915
PNG
(2-fluoro-4-{3-[3-(3- methoxybenzenesulfonyl) propa...)
Show SMILES COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(C#N)c(F)c1 |THB:13:15:22:18.19|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616908
PNG
(6-(3-{3-[(2-methoxypyridin-4- yl)sulfonyl]propanoy...)
Show SMILES COc1cc(ccn1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616907
PNG
(6-{3-[3-(3-fluoro-2- methoxybenzenesulfonyl) propa...)
Show SMILES COc1c(F)cccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:14:16:23:19.20|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616906
PNG
(6-{3-[3-(5-fluoro-2- methoxybenzenesulfonyl) propa...)
Show SMILES COc1ccc(F)cc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:14:16:23:19.20|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616905
PNG
(6-{3-[3-(2- methoxybenzenesulfonyl) propanoyl]-3,8...)
Show SMILES COc1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616904
PNG
(6-{3-[3-(3-fluoro-5- methoxybenzenesulfonyl) propa...)
Show SMILES COc1cc(F)cc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:14:16:23:19.20|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616913
PNG
(2-fluoro-5-{3-[3-(3- methoxybenzenesulfonyl) propa...)
Show SMILES COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(F)c(c1)C#N |THB:13:15:22:18.19|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM616928
PNG
(6-{3-[3-(3-fluoro-2- methylbenzenesulfonyl) propan...)
Show SMILES Cc1c(F)cccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM616894
PNG
(US11752149, Example 3)
Show SMILES COc1cc(ccc1F)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:14:16:23:19.20|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM616894
PNG
(US11752149, Example 3)
Show SMILES COc1cc(ccc1F)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:14:16:23:19.20|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM616928
PNG
(6-{3-[3-(3-fluoro-2- methylbenzenesulfonyl) propan...)
Show SMILES Cc1c(F)cccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616909
PNG
(3-(3-methoxybenzenesulfonyl)-1- {8-[5-(trifluorome...)
Show SMILES COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C(F)(F)F |THB:13:15:22:18.19|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616911
PNG
(3-(3-methoxybenzenesulfonyl)-1- {8-[6-(trifluorome...)
Show SMILES COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(nn1)C(F)(F)F |THB:13:15:22:18.19|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616917
PNG
(6-{3-[3-(3- cyclopropoxybenzenesulfonyl) propanoyl...)
Show SMILES O=C(CCS(=O)(=O)c1cccc(OC2CC2)c1)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:1:17:24:20.21|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616923
PNG
(6-{3-[3-(3- bromobenzenesulfonyl) propanoyl]-3,8-d...)
Show SMILES Brc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:12:14:21:17.18|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616926
PNG
(6-(3-{3-[(3-cyclopropylpyridin- 2-yl)sulfonyl]prop...)
Show SMILES O=C(CCS(=O)(=O)c1ncccc1C1CC1)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:1:16:23:19.20|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616901
PNG
(3-(3-methoxybenzenesulfonyl)-1- [8-(6-methylpyrida...)
Show SMILES COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(C)nn1 |THB:13:15:22:18.19|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616933
PNG
(6-(3-{3-[(2-cyclopropyl- pyridin-4-yl)sulfonyl] pr...)
Show SMILES O=C(CCS(=O)(=O)c1ccnc(c1)C1CC1)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:1:16:23:19.20|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616941
PNG
(6-(3-{3-[2- (difluoromethyl)benzene- sulfonyl]prop...)
Show SMILES FC(F)c1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:14:16:23:19.20|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM616973
PNG
(Synthesis of 6-(3-(3-((2-((R)-2,2-difluorocyclopro...)
Show SMILES FC1(F)C[C@@H]1c1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |r,THB:16:18:21.22:25|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616950
PNG
(6-(3-(3-((2- bromophenyl)sulfonyl) propanoyl)-3,8-...)
Show SMILES Brc1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:12:14:21:17.18|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616968
PNG
(6-(3-(3-((2- (trifluoromethyl)phenyl)sulfonyl) pro...)
Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:15:17:24:20.21|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616969
PNG
(6-(3-(3-((2- (trifluoromethoxy)phenyl) sulfonyl)pr...)
Show SMILES FC(F)(F)Oc1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:16:18:25:21.22|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616970
PNG
(6-(3-(3-((2-(1,1- difluoroethyl)phenyl)sulfonyl) p...)
Show SMILES CC(F)(F)c1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:15:17:24:20.21|
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BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616971
PNG
(6-(3-(3-((5-fluoro-2- methylphenyl)sulfonyl) propa...)
Show SMILES Cc1ccc(F)cc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|
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BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616972
PNG
(6-(3-(3-((3-fluoro-5- methylphenyl)sulfonyl) propa...)
Show SMILES Cc1cc(F)cc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616973
PNG
(Synthesis of 6-(3-(3-((2-((R)-2,2-difluorocyclopro...)
Show SMILES FC1(F)C[C@@H]1c1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |r,THB:16:18:21.22:25|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM616890
PNG
(US11752149, Example 2)
Show SMILES COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|
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BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM616890
PNG
(US11752149, Example 2)
Show SMILES COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|
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BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616912
PNG
(3-(3-methoxybenzenesulfonyl)- 1-[8-(5-methylpyridi...)
Show SMILES COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(C)cn1 |THB:13:15:22:18.19|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616898
PNG
(US11752149, Example 6)
Show SMILES CC(C)(O)c1cc(ccc1F)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:16:18:25:21.22|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM616928
PNG
(6-{3-[3-(3-fluoro-2- methylbenzenesulfonyl) propan...)
Show SMILES Cc1c(F)cccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM616902
PNG
(3-(3-methoxybenzenesulfonyl)-1- [8-(6-methylpyridi...)
Show SMILES COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(C)nc1 |THB:13:15:22:18.19|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM616894
PNG
(US11752149, Example 3)
Show SMILES COc1cc(ccc1F)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:14:16:23:19.20|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM616890
PNG
(US11752149, Example 2)
Show SMILES COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2T41
More data for this
Ligand-Target Pair