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Compile Data Set for Download or QSAR

Found 127 hits with Last Name = 'fromm' and Initial = 'mf'   
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 M3


(Homo sapiens (Human))
BDBM50538205
PNG
(CHEMBL4636528)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H19ClF2N2O2/c20-16-9-13(1-3-17(16)22)15-10-14(21)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)
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0.0690n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538202
PNG
(CHEMBL4633816)
Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C21H21ClF2N2O2.CH2O2/c1-26-8-6-13(7-9-26)20(12-26)28-21(27)25-19-5-3-15(23)11-16(19)14-2-4-18(24)17(22)10-14;2-1-3/h2-5,10-11,13,20H,6-9,12H2,1H3;1H,(H,2,3)/t13?,20-,26?;/m0./s1
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0.0700n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538203
PNG
(CHEMBL4647437)
Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ccc(F)cc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H22ClFN2O2.CH2O2/c1-25-9-7-14(8-10-25)20(13-25)27-21(26)24-19-6-5-17(23)12-18(19)15-3-2-4-16(22)11-15;2-1-3/h2-6,11-12,14,20H,7-10,13H2,1H3;1H,(H,2,3)/t14?,20-,25?;/m0./s1
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0.0720n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538206
PNG
(CHEMBL4640703)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClFN2O2/c20-15-3-1-2-14(10-15)17-11-16(21)4-5-18(17)23-19(24)25-12-13-6-8-22-9-7-13/h1-5,10-11,13,22H,6-9,12H2,(H,23,24)
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0.0840n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538203
PNG
(CHEMBL4647437)
Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ccc(F)cc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H22ClFN2O2.CH2O2/c1-25-9-7-14(8-10-25)20(13-25)27-21(26)24-19-6-5-17(23)12-18(19)15-3-2-4-16(22)11-15;2-1-3/h2-6,11-12,14,20H,7-10,13H2,1H3;1H,(H,2,3)/t14?,20-,25?;/m0./s1
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0.110n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538202
PNG
(CHEMBL4633816)
Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C21H21ClF2N2O2.CH2O2/c1-26-8-6-13(7-9-26)20(12-26)28-21(27)25-19-5-3-15(23)11-16(19)14-2-4-18(24)17(22)10-14;2-1-3/h2-5,10-11,13,20H,6-9,12H2,1H3;1H,(H,2,3)/t13?,20-,26?;/m0./s1
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0.120n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538219
PNG
(CHEMBL4644192)
Show SMILES [O-]C(=O)C(F)(F)F.[H][C@]12CC[N@+](C)(CC1)C[C@@H]2OC(=O)Nc1ccccc1-c1ccccc1 |r,wU:16.17,11.10,8.6,(17.64,-38.46,;16.33,-37.7,;16.33,-36.19,;15.01,-38.46,;13.71,-37.7,;15.01,-39.98,;13.7,-39.21,;13.73,-34.96,;13.73,-33.42,;15.07,-32.65,;15.07,-31.11,;13.73,-30.34,;13.72,-28.83,;13.22,-31.83,;14.21,-32.23,;12.39,-31.11,;12.4,-32.64,;11.06,-33.42,;9.73,-32.65,;9.73,-31.11,;8.39,-33.43,;8.4,-34.97,;9.74,-35.73,;9.74,-37.28,;8.4,-38.05,;7.07,-37.28,;7.07,-35.74,;5.74,-34.97,;5.74,-33.42,;4.41,-32.65,;3.07,-33.43,;3.08,-34.97,;4.42,-35.74,)|
Show InChI InChI=1S/C21H24N2O2.C2HF3O2/c1-23-13-11-17(12-14-23)20(15-23)25-21(24)22-19-10-6-5-9-18(19)16-7-3-2-4-8-16;3-2(4,5)1(6)7/h2-10,17,20H,11-15H2,1H3;(H,6,7)/t17-,20-,23+;/m0./s1
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0.170n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538194
PNG
(CHEMBL4639307)
Show SMILES [O-]C(=O)C(F)(F)F.[H][C@]12CC[N@+](C)(CC1)C[C@@H]2OC(=O)Nc1ccc(F)cc1-c1ccccc1 |r,wU:16.17,11.10,8.6,(18.05,-12.72,;16.72,-11.95,;16.72,-10.41,;15.39,-12.72,;14.05,-11.95,;15.39,-14.26,;14.05,-13.48,;16.2,-10.02,;16.2,-8.48,;17.56,-7.82,;17.56,-6.28,;16.22,-5.51,;16.22,-3.97,;15.81,-6.99,;16.72,-7.28,;14.88,-6.28,;14.89,-7.81,;13.56,-8.59,;12.22,-7.82,;12.22,-6.28,;10.89,-8.59,;10.89,-10.13,;12.23,-10.9,;12.23,-12.45,;10.9,-13.22,;10.9,-14.76,;9.56,-12.45,;9.56,-10.91,;8.23,-10.14,;8.24,-8.59,;6.9,-7.82,;5.57,-8.59,;5.57,-10.14,;6.91,-10.91,)|
Show InChI InChI=1S/C21H23FN2O2.C2HF3O2/c1-24-11-9-16(10-12-24)20(14-24)26-21(25)23-19-8-7-17(22)13-18(19)15-5-3-2-4-6-15;3-2(4,5)1(6)7/h2-8,13,16,20H,9-12,14H2,1H3;(H,6,7)/t16-,20-,24+;/m0./s1
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0.230n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538211
PNG
(CHEMBL4649201)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H19Cl2FN2O2/c20-16-3-1-13(9-17(16)21)15-10-14(22)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)
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0.25n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538205
PNG
(CHEMBL4636528)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H19ClF2N2O2/c20-16-9-13(1-3-17(16)22)15-10-14(21)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)
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0.270n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538206
PNG
(CHEMBL4640703)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClFN2O2/c20-15-3-1-2-14(10-15)17-11-16(21)4-5-18(17)23-19(24)25-12-13-6-8-22-9-7-13/h1-5,10-11,13,22H,6-9,12H2,(H,23,24)
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0.340n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538199
PNG
(CHEMBL4645543)
Show SMILES Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1ccccc1 |r,wU:9.8,(9.06,-42.48,;9.06,-40.97,;10.41,-40.2,;10.4,-38.65,;9.06,-37.88,;9.06,-36.34,;10.39,-35.57,;10.39,-34.03,;11.72,-36.33,;13.06,-35.56,;13.06,-34.03,;14.39,-33.25,;15.73,-34.02,;15.73,-35.57,;14.4,-36.33,;14.87,-35.15,;13.88,-34.75,;7.74,-38.65,;7.73,-40.2,;6.4,-37.88,;6.4,-36.34,;5.07,-35.57,;3.74,-36.34,;3.74,-37.89,;5.08,-38.65,)|
Show InChI InChI=1S/C20H21FN2O2/c21-16-6-7-18(17(12-16)14-4-2-1-3-5-14)22-20(24)25-19-13-23-10-8-15(19)9-11-23/h1-7,12,15,19H,8-11,13H2,(H,22,24)/t19-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538207
PNG
(CHEMBL4640324)
Show SMILES Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1ccc(F)c(Cl)c1 |r,wU:9.8,(12.23,-40.25,;12.23,-38.74,;13.58,-37.97,;13.57,-36.42,;12.23,-35.65,;12.23,-34.11,;13.56,-33.34,;13.56,-31.8,;14.89,-34.11,;16.23,-33.33,;16.23,-31.8,;17.56,-31.03,;18.9,-31.8,;18.9,-33.34,;17.57,-34.11,;18.04,-32.92,;17.05,-32.52,;10.91,-36.42,;10.9,-37.97,;9.57,-35.66,;8.25,-36.42,;6.91,-35.66,;6.91,-34.11,;5.6,-33.36,;8.25,-33.34,;8.25,-31.83,;9.57,-34.11,)|
Show InChI InChI=1S/C20H19ClF2N2O2/c21-16-9-13(1-3-17(16)23)15-10-14(22)2-4-18(15)24-20(26)27-19-11-25-7-5-12(19)6-8-25/h1-4,9-10,12,19H,5-8,11H2,(H,24,26)/t19-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538207
PNG
(CHEMBL4640324)
Show SMILES Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1ccc(F)c(Cl)c1 |r,wU:9.8,(12.23,-40.25,;12.23,-38.74,;13.58,-37.97,;13.57,-36.42,;12.23,-35.65,;12.23,-34.11,;13.56,-33.34,;13.56,-31.8,;14.89,-34.11,;16.23,-33.33,;16.23,-31.8,;17.56,-31.03,;18.9,-31.8,;18.9,-33.34,;17.57,-34.11,;18.04,-32.92,;17.05,-32.52,;10.91,-36.42,;10.9,-37.97,;9.57,-35.66,;8.25,-36.42,;6.91,-35.66,;6.91,-34.11,;5.6,-33.36,;8.25,-33.34,;8.25,-31.83,;9.57,-34.11,)|
Show InChI InChI=1S/C20H19ClF2N2O2/c21-16-9-13(1-3-17(16)23)15-10-14(22)2-4-18(15)24-20(26)27-19-11-25-7-5-12(19)6-8-25/h1-4,9-10,12,19H,5-8,11H2,(H,24,26)/t19-/m0/s1
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0.360n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538193
PNG
(CHEMBL4644670)
Show SMILES O=C(Nc1ccccc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wU:16.17,(15.76,-8.02,;15.77,-9.56,;14.44,-10.33,;14.44,-11.87,;15.78,-12.63,;15.78,-14.18,;14.44,-14.96,;13.11,-14.18,;13.11,-12.64,;11.78,-11.87,;11.78,-10.33,;10.45,-9.56,;9.12,-10.33,;9.12,-11.88,;10.46,-12.64,;17.1,-10.32,;18.44,-9.55,;18.42,-8.01,;19.76,-7.24,;21.1,-8.01,;21.1,-9.55,;19.77,-10.32,;19.1,-8.91,;20.52,-8.56,)|
Show InChI InChI=1S/C20H22N2O2/c23-20(24-19-14-22-12-10-16(19)11-13-22)21-18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2,(H,21,23)/t19-/m0/s1
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0.360n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538208
PNG
(CHEMBL4648071)
Show SMILES Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1cccc(Cl)c1 |r,wU:9.8,(59.08,-25.57,;59.08,-24.06,;60.42,-23.29,;60.41,-21.74,;59.07,-20.98,;59.07,-19.44,;60.41,-18.66,;60.4,-17.12,;61.74,-19.43,;63.07,-18.66,;63.07,-17.12,;64.4,-16.35,;65.74,-17.12,;65.74,-18.66,;64.41,-19.43,;64.89,-18.24,;63.9,-17.85,;57.75,-21.75,;57.75,-23.29,;56.42,-20.98,;55.09,-21.75,;53.75,-20.99,;53.75,-19.44,;55.09,-18.67,;55.09,-17.16,;56.42,-19.44,)|
Show InChI InChI=1S/C20H20ClFN2O2/c21-15-3-1-2-14(10-15)17-11-16(22)4-5-18(17)23-20(25)26-19-12-24-8-6-13(19)7-9-24/h1-5,10-11,13,19H,6-9,12H2,(H,23,25)/t19-/m0/s1
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0.390n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538219
PNG
(CHEMBL4644192)
Show SMILES [O-]C(=O)C(F)(F)F.[H][C@]12CC[N@+](C)(CC1)C[C@@H]2OC(=O)Nc1ccccc1-c1ccccc1 |r,wU:16.17,11.10,8.6,(17.64,-38.46,;16.33,-37.7,;16.33,-36.19,;15.01,-38.46,;13.71,-37.7,;15.01,-39.98,;13.7,-39.21,;13.73,-34.96,;13.73,-33.42,;15.07,-32.65,;15.07,-31.11,;13.73,-30.34,;13.72,-28.83,;13.22,-31.83,;14.21,-32.23,;12.39,-31.11,;12.4,-32.64,;11.06,-33.42,;9.73,-32.65,;9.73,-31.11,;8.39,-33.43,;8.4,-34.97,;9.74,-35.73,;9.74,-37.28,;8.4,-38.05,;7.07,-37.28,;7.07,-35.74,;5.74,-34.97,;5.74,-33.42,;4.41,-32.65,;3.07,-33.43,;3.08,-34.97,;4.42,-35.74,)|
Show InChI InChI=1S/C21H24N2O2.C2HF3O2/c1-23-13-11-17(12-14-23)20(15-23)25-21(24)22-19-10-6-5-9-18(19)16-7-3-2-4-8-16;3-2(4,5)1(6)7/h2-10,17,20H,11-15H2,1H3;(H,6,7)/t17-,20-,23+;/m0./s1
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0.400n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538192
PNG
(CHEMBL4636302)
Show SMILES O=C(Nc1ccccc1-c1ccccc1)OCC1CCNCC1
Show InChI InChI=1S/C19H22N2O2/c22-19(23-14-15-10-12-20-13-11-15)21-18-9-5-4-8-17(18)16-6-2-1-3-7-16/h1-9,15,20H,10-14H2,(H,21,22)
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0.470n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50538193
PNG
(CHEMBL4644670)
Show SMILES O=C(Nc1ccccc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wU:16.17,(15.76,-8.02,;15.77,-9.56,;14.44,-10.33,;14.44,-11.87,;15.78,-12.63,;15.78,-14.18,;14.44,-14.96,;13.11,-14.18,;13.11,-12.64,;11.78,-11.87,;11.78,-10.33,;10.45,-9.56,;9.12,-10.33,;9.12,-11.88,;10.46,-12.64,;17.1,-10.32,;18.44,-9.55,;18.42,-8.01,;19.76,-7.24,;21.1,-8.01,;21.1,-9.55,;19.77,-10.32,;19.1,-8.91,;20.52,-8.56,)|
Show InChI InChI=1S/C20H22N2O2/c23-20(24-19-14-22-12-10-16(19)11-13-22)21-18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2,(H,21,23)/t19-/m0/s1
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0.470n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from Wistar rat salivary gland muscarinic M3 receptor


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538209
PNG
(CHEMBL4643867)
Show SMILES Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1ccc(Cl)c(Cl)c1 |r,wU:9.8,(34.72,-25.63,;34.72,-24.12,;36.06,-23.35,;36.06,-21.8,;34.72,-21.03,;34.71,-19.49,;36.05,-18.72,;36.05,-17.18,;37.38,-19.48,;38.72,-18.71,;38.71,-17.18,;40.05,-16.4,;41.39,-17.17,;41.39,-18.72,;40.05,-19.48,;40.53,-18.3,;39.54,-17.9,;33.39,-21.8,;33.39,-23.35,;32.06,-21.03,;30.74,-21.8,;29.4,-21.04,;29.39,-19.49,;28.09,-18.74,;30.73,-18.72,;30.74,-17.21,;32.06,-19.49,)|
Show InChI InChI=1S/C20H19Cl2FN2O2/c21-16-3-1-13(9-17(16)22)15-10-14(23)2-4-18(15)24-20(26)27-19-11-25-7-5-12(19)6-8-25/h1-4,9-10,12,19H,5-8,11H2,(H,24,26)/t19-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538208
PNG
(CHEMBL4648071)
Show SMILES Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1cccc(Cl)c1 |r,wU:9.8,(59.08,-25.57,;59.08,-24.06,;60.42,-23.29,;60.41,-21.74,;59.07,-20.98,;59.07,-19.44,;60.41,-18.66,;60.4,-17.12,;61.74,-19.43,;63.07,-18.66,;63.07,-17.12,;64.4,-16.35,;65.74,-17.12,;65.74,-18.66,;64.41,-19.43,;64.89,-18.24,;63.9,-17.85,;57.75,-21.75,;57.75,-23.29,;56.42,-20.98,;55.09,-21.75,;53.75,-20.99,;53.75,-19.44,;55.09,-18.67,;55.09,-17.16,;56.42,-19.44,)|
Show InChI InChI=1S/C20H20ClFN2O2/c21-15-3-1-2-14(10-15)17-11-16(22)4-5-18(17)23-20(25)26-19-12-24-8-6-13(19)7-9-24/h1-5,10-11,13,19H,6-9,12H2,(H,23,25)/t19-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538199
PNG
(CHEMBL4645543)
Show SMILES Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1ccccc1 |r,wU:9.8,(9.06,-42.48,;9.06,-40.97,;10.41,-40.2,;10.4,-38.65,;9.06,-37.88,;9.06,-36.34,;10.39,-35.57,;10.39,-34.03,;11.72,-36.33,;13.06,-35.56,;13.06,-34.03,;14.39,-33.25,;15.73,-34.02,;15.73,-35.57,;14.4,-36.33,;14.87,-35.15,;13.88,-34.75,;7.74,-38.65,;7.73,-40.2,;6.4,-37.88,;6.4,-36.34,;5.07,-35.57,;3.74,-36.34,;3.74,-37.89,;5.08,-38.65,)|
Show InChI InChI=1S/C20H21FN2O2/c21-16-6-7-18(17(12-16)14-4-2-1-3-5-14)22-20(24)25-19-13-23-10-8-15(19)9-11-23/h1-7,12,15,19H,8-11,13H2,(H,22,24)/t19-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538193
PNG
(CHEMBL4644670)
Show SMILES O=C(Nc1ccccc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wU:16.17,(15.76,-8.02,;15.77,-9.56,;14.44,-10.33,;14.44,-11.87,;15.78,-12.63,;15.78,-14.18,;14.44,-14.96,;13.11,-14.18,;13.11,-12.64,;11.78,-11.87,;11.78,-10.33,;10.45,-9.56,;9.12,-10.33,;9.12,-11.88,;10.46,-12.64,;17.1,-10.32,;18.44,-9.55,;18.42,-8.01,;19.76,-7.24,;21.1,-8.01,;21.1,-9.55,;19.77,-10.32,;19.1,-8.91,;20.52,-8.56,)|
Show InChI InChI=1S/C20H22N2O2/c23-20(24-19-14-22-12-10-16(19)11-13-22)21-18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2,(H,21,23)/t19-/m0/s1
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0.560n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538218
PNG
(CHEMBL4644852)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccccc1
Show InChI InChI=1S/C19H21FN2O2/c20-16-6-7-18(17(12-16)15-4-2-1-3-5-15)22-19(23)24-13-14-8-10-21-11-9-14/h1-7,12,14,21H,8-11,13H2,(H,22,23)
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0.630n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50538193
PNG
(CHEMBL4644670)
Show SMILES O=C(Nc1ccccc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wU:16.17,(15.76,-8.02,;15.77,-9.56,;14.44,-10.33,;14.44,-11.87,;15.78,-12.63,;15.78,-14.18,;14.44,-14.96,;13.11,-14.18,;13.11,-12.64,;11.78,-11.87,;11.78,-10.33,;10.45,-9.56,;9.12,-10.33,;9.12,-11.88,;10.46,-12.64,;17.1,-10.32,;18.44,-9.55,;18.42,-8.01,;19.76,-7.24,;21.1,-8.01,;21.1,-9.55,;19.77,-10.32,;19.1,-8.91,;20.52,-8.56,)|
Show InChI InChI=1S/C20H22N2O2/c23-20(24-19-14-22-12-10-16(19)11-13-22)21-18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2,(H,21,23)/t19-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepin from Wistar rat cortex muscarinic M1 receptor


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538197
PNG
(CHEMBL4639938)
Show SMILES [H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])N1C)OC(=O)Nc1ccc(F)cc1-c1ccccc1 |r,TLB:14:8:12:3.1,2:3:12:8.7.9,2:1:12:8.7.9|
Show InChI InChI=1S/C21H21FN2O3/c1-24-17-10-14(11-18(24)20-19(17)27-20)26-21(25)23-16-8-7-13(22)9-15(16)12-5-3-2-4-6-12/h2-9,14,17-20H,10-11H2,1H3,(H,23,25)/t14-,17+,18-,19+,20-
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0.650n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538211
PNG
(CHEMBL4649201)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H19Cl2FN2O2/c20-16-3-1-13(9-17(16)21)15-10-14(22)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)
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0.660n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538209
PNG
(CHEMBL4643867)
Show SMILES Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1ccc(Cl)c(Cl)c1 |r,wU:9.8,(34.72,-25.63,;34.72,-24.12,;36.06,-23.35,;36.06,-21.8,;34.72,-21.03,;34.71,-19.49,;36.05,-18.72,;36.05,-17.18,;37.38,-19.48,;38.72,-18.71,;38.71,-17.18,;40.05,-16.4,;41.39,-17.17,;41.39,-18.72,;40.05,-19.48,;40.53,-18.3,;39.54,-17.9,;33.39,-21.8,;33.39,-23.35,;32.06,-21.03,;30.74,-21.8,;29.4,-21.04,;29.39,-19.49,;28.09,-18.74,;30.73,-18.72,;30.74,-17.21,;32.06,-19.49,)|
Show InChI InChI=1S/C20H19Cl2FN2O2/c21-16-3-1-13(9-17(16)22)15-10-14(23)2-4-18(15)24-20(26)27-19-11-25-7-5-12(19)6-8-25/h1-4,9-10,12,19H,5-8,11H2,(H,24,26)/t19-/m0/s1
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0.730n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50109647
PNG
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)
Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
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0.740n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538194
PNG
(CHEMBL4639307)
Show SMILES [O-]C(=O)C(F)(F)F.[H][C@]12CC[N@+](C)(CC1)C[C@@H]2OC(=O)Nc1ccc(F)cc1-c1ccccc1 |r,wU:16.17,11.10,8.6,(18.05,-12.72,;16.72,-11.95,;16.72,-10.41,;15.39,-12.72,;14.05,-11.95,;15.39,-14.26,;14.05,-13.48,;16.2,-10.02,;16.2,-8.48,;17.56,-7.82,;17.56,-6.28,;16.22,-5.51,;16.22,-3.97,;15.81,-6.99,;16.72,-7.28,;14.88,-6.28,;14.89,-7.81,;13.56,-8.59,;12.22,-7.82,;12.22,-6.28,;10.89,-8.59,;10.89,-10.13,;12.23,-10.9,;12.23,-12.45,;10.9,-13.22,;10.9,-14.76,;9.56,-12.45,;9.56,-10.91,;8.23,-10.14,;8.24,-8.59,;6.9,-7.82,;5.57,-8.59,;5.57,-10.14,;6.91,-10.91,)|
Show InChI InChI=1S/C21H23FN2O2.C2HF3O2/c1-24-11-9-16(10-12-24)20(14-24)26-21(25)23-19-8-7-17(22)13-18(19)15-5-3-2-4-6-15;3-2(4,5)1(6)7/h2-8,13,16,20H,9-12,14H2,1H3;(H,6,7)/t16-,20-,24+;/m0./s1
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0.75n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538190
PNG
(CHEMBL4640544)
Show SMILES Fc1cc(cc(F)c1F)-c1ccccc1NC(=O)OCC1CCNCC1
Show InChI InChI=1S/C19H19F3N2O2/c20-15-9-13(10-16(21)18(15)22)14-3-1-2-4-17(14)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)
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0.900n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538198
PNG
(CHEMBL4643643)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)OC(=O)Nc1ccc(F)cc1-c1ccccc1)N2C |r,TLB:9:7:26:3.2|
Show InChI InChI=1S/C21H23FN2O2/c1-24-16-8-9-17(24)13-18(12-16)26-21(25)23-20-10-7-15(22)11-19(20)14-5-3-2-4-6-14/h2-7,10-11,16-18H,8-9,12-13H2,1H3,(H,23,25)/t16-,17+,18-
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0.930n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538216
PNG
(CHEMBL4648196)
Show SMILES Fc1ccc(cc1)-c1cc(F)ccc1NC(=O)OCC1CCNCC1
Show InChI InChI=1S/C19H20F2N2O2/c20-15-3-1-14(2-4-15)17-11-16(21)5-6-18(17)23-19(24)25-12-13-7-9-22-10-8-13/h1-6,11,13,22H,7-10,12H2,(H,23,24)
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1n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538200
PNG
(CHEMBL4645235)
Show SMILES [O-]C=O.C[N+]1(C)CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C21H23ClF2N2O2/c1-26(2)9-7-14(8-10-26)13-28-21(27)25-20-6-4-16(23)12-17(20)15-3-5-19(24)18(22)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3/p+1
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1.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538198
PNG
(CHEMBL4643643)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)OC(=O)Nc1ccc(F)cc1-c1ccccc1)N2C |r,TLB:9:7:26:3.2|
Show InChI InChI=1S/C21H23FN2O2/c1-24-16-8-9-17(24)13-18(12-16)26-21(25)23-20-10-7-15(22)11-19(20)14-5-3-2-4-6-14/h2-7,10-11,16-18H,8-9,12-13H2,1H3,(H,23,25)/t16-,17+,18-
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1.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538197
PNG
(CHEMBL4639938)
Show SMILES [H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])N1C)OC(=O)Nc1ccc(F)cc1-c1ccccc1 |r,TLB:14:8:12:3.1,2:3:12:8.7.9,2:1:12:8.7.9|
Show InChI InChI=1S/C21H21FN2O3/c1-24-17-10-14(11-18(24)20-19(17)27-20)26-21(25)23-16-8-7-13(22)9-15(16)12-5-3-2-4-6-12/h2-9,14,17-20H,10-11H2,1H3,(H,23,25)/t14-,17+,18-,19+,20-
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1.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538204
PNG
(CHEMBL4644999)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H19Cl2FN2O2/c20-14-7-13(8-15(21)9-14)17-10-16(22)1-2-18(17)24-19(25)26-11-12-3-5-23-6-4-12/h1-2,7-10,12,23H,3-6,11H2,(H,24,25)
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1.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538200
PNG
(CHEMBL4645235)
Show SMILES [O-]C=O.C[N+]1(C)CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C21H23ClF2N2O2/c1-26(2)9-7-14(8-10-26)13-28-21(27)25-20-6-4-16(23)12-17(20)15-3-5-19(24)18(22)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3/p+1
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1.70n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538219
PNG
(CHEMBL4644192)
Show SMILES [O-]C(=O)C(F)(F)F.[H][C@]12CC[N@+](C)(CC1)C[C@@H]2OC(=O)Nc1ccccc1-c1ccccc1 |r,wU:16.17,11.10,8.6,(17.64,-38.46,;16.33,-37.7,;16.33,-36.19,;15.01,-38.46,;13.71,-37.7,;15.01,-39.98,;13.7,-39.21,;13.73,-34.96,;13.73,-33.42,;15.07,-32.65,;15.07,-31.11,;13.73,-30.34,;13.72,-28.83,;13.22,-31.83,;14.21,-32.23,;12.39,-31.11,;12.4,-32.64,;11.06,-33.42,;9.73,-32.65,;9.73,-31.11,;8.39,-33.43,;8.4,-34.97,;9.74,-35.73,;9.74,-37.28,;8.4,-38.05,;7.07,-37.28,;7.07,-35.74,;5.74,-34.97,;5.74,-33.42,;4.41,-32.65,;3.07,-33.43,;3.08,-34.97,;4.42,-35.74,)|
Show InChI InChI=1S/C21H24N2O2.C2HF3O2/c1-23-13-11-17(12-14-23)20(15-23)25-21(24)22-19-10-6-5-9-18(19)16-7-3-2-4-8-16;3-2(4,5)1(6)7/h2-10,17,20H,11-15H2,1H3;(H,6,7)/t17-,20-,23+;/m0./s1
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1.70n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538201
PNG
(CHEMBL4636887)
Show SMILES [O-]C=O.C[N+]1(C)CCC(COC(=O)Nc2ccc(F)cc2-c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C21H24ClFN2O2/c1-25(2)10-8-15(9-11-25)14-27-21(26)24-20-7-6-18(23)13-19(20)16-4-3-5-17(22)12-16/h3-7,12-13,15H,8-11,14H2,1-2H3/p+1
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1.80n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538192
PNG
(CHEMBL4636302)
Show SMILES O=C(Nc1ccccc1-c1ccccc1)OCC1CCNCC1
Show InChI InChI=1S/C19H22N2O2/c22-19(23-14-15-10-12-20-13-11-15)21-18-9-5-4-8-17(18)16-6-2-1-3-7-16/h1-9,15,20H,10-14H2,(H,21,22)
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1.80n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538193
PNG
(CHEMBL4644670)
Show SMILES O=C(Nc1ccccc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wU:16.17,(15.76,-8.02,;15.77,-9.56,;14.44,-10.33,;14.44,-11.87,;15.78,-12.63,;15.78,-14.18,;14.44,-14.96,;13.11,-14.18,;13.11,-12.64,;11.78,-11.87,;11.78,-10.33,;10.45,-9.56,;9.12,-10.33,;9.12,-11.88,;10.46,-12.64,;17.1,-10.32,;18.44,-9.55,;18.42,-8.01,;19.76,-7.24,;21.1,-8.01,;21.1,-9.55,;19.77,-10.32,;19.1,-8.91,;20.52,-8.56,)|
Show InChI InChI=1S/C20H22N2O2/c23-20(24-19-14-22-12-10-16(19)11-13-22)21-18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2,(H,21,23)/t19-/m0/s1
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2n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538218
PNG
(CHEMBL4644852)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccccc1
Show InChI InChI=1S/C19H21FN2O2/c20-16-6-7-18(17(12-16)15-4-2-1-3-5-15)22-19(23)24-13-14-8-10-21-11-9-14/h1-7,12,14,21H,8-11,13H2,(H,22,23)
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2.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538196
PNG
(CHEMBL4632615)
Show SMILES Fc1ccc(NC(=O)N[C@H]2CN3CCC2CC3)c(c1)-c1ccccc1 |r,wU:9.8,(14.44,-16.14,;14.44,-14.6,;15.78,-13.83,;15.77,-12.28,;14.44,-11.52,;14.43,-9.98,;15.77,-9.2,;15.76,-7.66,;17.1,-9.97,;18.43,-9.2,;18.42,-7.66,;19.76,-6.89,;21.1,-7.66,;21.09,-9.2,;19.77,-9.97,;19.1,-8.56,;20.52,-8.21,;13.11,-12.29,;13.11,-13.83,;11.78,-11.52,;11.78,-9.98,;10.45,-9.21,;9.12,-9.98,;9.12,-11.53,;10.45,-12.29,)|
Show InChI InChI=1S/C20H22FN3O/c21-16-6-7-18(17(12-16)14-4-2-1-3-5-14)22-20(25)23-19-13-24-10-8-15(19)9-11-24/h1-7,12,15,19H,8-11,13H2,(H2,22,23,25)/t19-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50538201
PNG
(CHEMBL4636887)
Show SMILES [O-]C=O.C[N+]1(C)CCC(COC(=O)Nc2ccc(F)cc2-c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C21H24ClFN2O2/c1-25(2)10-8-15(9-11-25)14-27-21(26)24-20-7-6-18(23)13-19(20)16-4-3-5-17(22)12-16/h3-7,12-13,15H,8-11,14H2,1-2H3/p+1
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2.70n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538203
PNG
(CHEMBL4647437)
Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ccc(F)cc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H22ClFN2O2.CH2O2/c1-25-9-7-14(8-10-25)20(13-25)27-21(26)24-19-6-5-17(23)12-18(19)15-3-2-4-16(22)11-15;2-1-3/h2-6,11-12,14,20H,7-10,13H2,1H3;1H,(H,2,3)/t14?,20-,25?;/m0./s1
PDB

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3.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538204
PNG
(CHEMBL4644999)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H19Cl2FN2O2/c20-14-7-13(8-15(21)9-14)17-10-16(22)1-2-18(17)24-19(25)26-11-12-3-5-23-6-4-12/h1-2,7-10,12,23H,3-6,11H2,(H,24,25)
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3.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538205
PNG
(CHEMBL4636528)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H19ClF2N2O2/c20-16-9-13(1-3-17(16)22)15-10-14(21)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)
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3.40n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50538190
PNG
(CHEMBL4640544)
Show SMILES Fc1cc(cc(F)c1F)-c1ccccc1NC(=O)OCC1CCNCC1
Show InChI InChI=1S/C19H19F3N2O2/c20-15-9-13(10-16(21)18(15)22)14-3-1-2-4-17(14)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)
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3.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50538202
PNG
(CHEMBL4633816)
Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C21H21ClF2N2O2.CH2O2/c1-26-8-6-13(7-9-26)20(12-26)28-21(27)25-19-5-3-15(23)11-16(19)14-2-4-18(24)17(22)10-14;2-1-3/h2-5,10-11,13,20H,6-9,12H2,1H3;1H,(H,2,3)/t13?,20-,26?;/m0./s1
PDB

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3.70n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...


J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
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