Compile Data Set for Download or QSAR

Found 358 hits with Last Name = 'cenacchi' and Initial = 'v'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581191 (CHEMBL5070876) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:33.34,(21.99,-25.56,;23.33,-26.33,;24.66,-25.56,;25.99,-26.33,;27.33,-25.56,;27.32,-24.01,;25.99,-23.25,;24.66,-24.02,;23.33,-23.25,;23.33,-21.71,;28.66,-23.24,;29.99,-24,;31.32,-23.23,;32.66,-24,;32.66,-25.54,;33.99,-23.22,;33.98,-21.68,;35.31,-20.91,;32.64,-20.92,;31.31,-21.7,;29.97,-20.94,;28.65,-21.7,;27.31,-20.93,;25.98,-21.71,;27.3,-19.39,;26.05,-18.5,;26.52,-17.03,;28.06,-17.02,;28.95,-15.77,;28.32,-14.37,;29.22,-13.12,;28.59,-11.71,;30.69,-13.23,;31.65,-12.02,;33.18,-12.26,;34.14,-11.06,;32.92,-10.1,;32.4,-11.6,;31.09,-10.59,;32.06,-9.39,;33.58,-9.63,;26.79,-14.22,;26.16,-12.81,;24.63,-12.66,;23.73,-13.91,;24.37,-15.32,;25.9,-15.47,;28.54,-18.49,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581204 (CHEMBL5076637) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2F)s1 |r,wU:10.22,wD:34.35,(20.54,-23.22,;21.88,-23.99,;23.21,-23.22,;24.54,-23.99,;25.88,-23.22,;25.87,-21.67,;24.54,-20.9,;23.21,-21.68,;21.88,-20.91,;21.88,-19.37,;27.21,-20.89,;28.54,-21.66,;29.87,-20.88,;31.21,-21.65,;31.21,-23.19,;32.54,-20.88,;32.53,-19.34,;33.86,-18.56,;31.19,-18.57,;29.86,-19.35,;28.52,-18.59,;27.2,-19.35,;25.86,-18.59,;24.53,-19.36,;25.85,-17.05,;24.61,-16.14,;25.08,-14.68,;26.65,-14.7,;27.52,-13.42,;26.84,-12.04,;27.7,-10.76,;29.24,-10.88,;29.91,-12.26,;30.1,-9.59,;31.63,-9.71,;32.31,-11.1,;33.83,-11.22,;32.55,-10.34,;33.76,-9.31,;32.5,-8.44,;34.04,-8.56,;34.7,-9.95,;27.02,-9.38,;25.5,-9.27,;24.82,-7.9,;25.69,-6.61,;27.22,-6.72,;27.9,-8.11,;29.43,-8.22,;27.1,-16.14,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581204 (CHEMBL5076637) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2F)s1 |r,wU:10.22,wD:34.35,(20.54,-23.22,;21.88,-23.99,;23.21,-23.22,;24.54,-23.99,;25.88,-23.22,;25.87,-21.67,;24.54,-20.9,;23.21,-21.68,;21.88,-20.91,;21.88,-19.37,;27.21,-20.89,;28.54,-21.66,;29.87,-20.88,;31.21,-21.65,;31.21,-23.19,;32.54,-20.88,;32.53,-19.34,;33.86,-18.56,;31.19,-18.57,;29.86,-19.35,;28.52,-18.59,;27.2,-19.35,;25.86,-18.59,;24.53,-19.36,;25.85,-17.05,;24.61,-16.14,;25.08,-14.68,;26.65,-14.7,;27.52,-13.42,;26.84,-12.04,;27.7,-10.76,;29.24,-10.88,;29.91,-12.26,;30.1,-9.59,;31.63,-9.71,;32.31,-11.1,;33.83,-11.22,;32.55,-10.34,;33.76,-9.31,;32.5,-8.44,;34.04,-8.56,;34.7,-9.95,;27.02,-9.38,;25.5,-9.27,;24.82,-7.9,;25.69,-6.61,;27.22,-6.72,;27.9,-8.11,;29.43,-8.22,;27.1,-16.14,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581203 (CHEMBL5074599) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:34.35,(20.54,-23.22,;21.88,-23.99,;23.21,-23.22,;24.54,-23.99,;25.88,-23.22,;25.87,-21.67,;24.54,-20.9,;23.21,-21.68,;21.88,-20.91,;21.88,-19.37,;27.21,-20.89,;28.54,-21.66,;29.87,-20.88,;31.21,-21.65,;31.21,-23.19,;32.54,-20.88,;32.53,-19.34,;33.86,-18.56,;31.19,-18.57,;29.86,-19.35,;28.52,-18.59,;27.2,-19.35,;25.86,-18.59,;24.53,-19.36,;25.85,-17.05,;24.61,-16.14,;25.08,-14.68,;26.65,-14.7,;27.52,-13.42,;26.84,-12.04,;27.7,-10.76,;29.24,-10.88,;29.91,-12.26,;30.1,-9.59,;31.63,-9.71,;32.31,-11.1,;33.83,-11.22,;32.55,-10.34,;33.76,-9.31,;32.5,-8.44,;34.04,-8.56,;34.7,-9.95,;27.02,-9.38,;27.9,-8.11,;27.22,-6.72,;25.69,-6.61,;24.82,-7.9,;25.5,-9.27,;27.1,-16.14,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581192 (CHEMBL5091461) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2F)s1 |r,wU:10.22,wD:33.34,(21.47,-24.81,;22.8,-25.58,;24.14,-24.81,;25.47,-25.58,;26.8,-24.81,;26.8,-23.26,;25.47,-22.49,;24.14,-23.26,;22.81,-22.49,;22.81,-20.95,;28.14,-22.48,;29.47,-23.25,;30.8,-22.47,;32.14,-23.24,;32.14,-24.78,;33.47,-22.47,;33.46,-20.93,;34.79,-20.15,;32.12,-20.16,;30.79,-20.94,;29.45,-20.18,;28.13,-20.94,;26.79,-20.18,;25.46,-20.95,;26.78,-18.64,;25.53,-17.74,;25.99,-16.27,;27.53,-16.27,;28.43,-15.02,;27.8,-13.61,;28.7,-12.36,;28.06,-10.96,;30.17,-12.47,;31.13,-11.27,;32.65,-11.5,;33.62,-10.31,;32.4,-9.34,;31.88,-10.85,;30.57,-9.84,;31.53,-8.64,;33.06,-8.87,;26.27,-13.46,;25.38,-14.71,;23.85,-14.57,;23.21,-13.16,;24.11,-11.9,;25.64,-12.06,;26.54,-10.81,;28.02,-17.73,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581209 (CHEMBL4650755) Show SMILES [H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581203 (CHEMBL5074599) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:34.35,(20.54,-23.22,;21.88,-23.99,;23.21,-23.22,;24.54,-23.99,;25.88,-23.22,;25.87,-21.67,;24.54,-20.9,;23.21,-21.68,;21.88,-20.91,;21.88,-19.37,;27.21,-20.89,;28.54,-21.66,;29.87,-20.88,;31.21,-21.65,;31.21,-23.19,;32.54,-20.88,;32.53,-19.34,;33.86,-18.56,;31.19,-18.57,;29.86,-19.35,;28.52,-18.59,;27.2,-19.35,;25.86,-18.59,;24.53,-19.36,;25.85,-17.05,;24.61,-16.14,;25.08,-14.68,;26.65,-14.7,;27.52,-13.42,;26.84,-12.04,;27.7,-10.76,;29.24,-10.88,;29.91,-12.26,;30.1,-9.59,;31.63,-9.71,;32.31,-11.1,;33.83,-11.22,;32.55,-10.34,;33.76,-9.31,;32.5,-8.44,;34.04,-8.56,;34.7,-9.95,;27.02,-9.38,;27.9,-8.11,;27.22,-6.72,;25.69,-6.61,;24.82,-7.9,;25.5,-9.27,;27.1,-16.14,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581185 (CHEMBL5076558) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1cccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1 |r,wU:10.22,wD:35.36,(49.9,-16.29,;51.24,-17.06,;52.57,-16.29,;53.91,-17.06,;55.24,-16.29,;55.24,-14.74,;53.9,-13.98,;52.57,-14.75,;51.24,-13.98,;51.24,-12.44,;56.57,-13.96,;57.91,-14.73,;59.24,-13.95,;59.22,-12.42,;57.89,-11.66,;60.55,-11.65,;61.89,-12.41,;63.22,-11.63,;61.9,-13.95,;60.57,-14.73,;60.57,-16.27,;56.56,-12.42,;55.23,-11.66,;53.9,-12.43,;55.22,-10.12,;53.89,-9.36,;53.88,-7.83,;55.21,-7.04,;56.55,-7.81,;57.88,-7.04,;57.88,-5.5,;59.21,-4.72,;60.54,-5.49,;60.55,-7.03,;61.87,-4.71,;63.21,-5.48,;63.21,-7.03,;64.54,-7.79,;65.87,-7.02,;65.87,-5.48,;64.54,-4.71,;65.29,-6.04,;63.75,-6.45,;59.2,-3.18,;60.54,-2.41,;60.53,-.87,;59.19,-.1,;57.86,-.89,;57.87,-2.42,;56.55,-9.35,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50581209 (CHEMBL4650755) Show SMILES [H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M2 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581189 (CHEMBL5075132) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1F |r,wU:10.22,wD:33.34,(45.59,-53.85,;46.93,-54.62,;48.26,-53.85,;49.6,-54.62,;50.93,-53.85,;50.93,-52.3,;49.59,-51.54,;48.26,-52.31,;46.93,-51.54,;46.93,-50,;52.26,-51.53,;53.59,-52.29,;54.93,-51.52,;54.91,-49.99,;53.57,-49.23,;56.24,-49.21,;57.58,-49.97,;58.91,-49.2,;57.59,-51.52,;56.26,-52.29,;56.26,-53.83,;52.25,-49.99,;50.92,-49.22,;49.59,-50,;50.91,-47.68,;52.24,-46.91,;52.24,-45.37,;50.9,-44.61,;50.92,-43.07,;52.27,-42.32,;53.59,-43.1,;54.93,-42.35,;53.57,-44.64,;54.89,-45.43,;54.86,-46.97,;56.18,-47.76,;57.53,-47.01,;57.55,-45.47,;56.23,-44.68,;55.41,-46.11,;56.97,-46.42,;52.29,-40.78,;53.63,-40.03,;53.66,-38.49,;52.33,-37.7,;50.98,-38.46,;50.97,-40,;49.57,-45.39,;49.58,-46.93,;48.25,-47.71,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581187 (CHEMBL5077161) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1 |r,wU:10.22,wD:33.34,(3.32,-53.1,;4.65,-53.87,;5.98,-53.1,;7.32,-53.87,;8.66,-53.1,;8.65,-51.55,;7.31,-50.79,;5.99,-51.56,;4.65,-50.79,;4.65,-49.25,;9.98,-50.78,;11.32,-51.54,;12.65,-50.77,;12.64,-49.24,;11.3,-48.48,;13.96,-48.46,;15.31,-49.22,;16.64,-48.45,;15.31,-50.76,;13.98,-51.54,;13.98,-53.08,;9.98,-49.24,;8.64,-48.47,;7.31,-49.25,;8.63,-46.93,;9.97,-46.16,;9.96,-44.62,;8.62,-43.85,;8.64,-42.32,;9.99,-41.56,;11.31,-42.35,;12.66,-41.6,;11.29,-43.89,;12.61,-44.68,;12.59,-46.22,;13.9,-47.01,;15.25,-46.26,;15.28,-44.72,;13.95,-43.92,;13.13,-45.36,;14.7,-45.67,;10.01,-40.02,;11.36,-39.28,;11.38,-37.74,;10.05,-36.95,;8.71,-37.71,;8.69,-39.25,;7.29,-44.64,;7.3,-46.17,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50581203 (CHEMBL5074599) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:34.35,(20.54,-23.22,;21.88,-23.99,;23.21,-23.22,;24.54,-23.99,;25.88,-23.22,;25.87,-21.67,;24.54,-20.9,;23.21,-21.68,;21.88,-20.91,;21.88,-19.37,;27.21,-20.89,;28.54,-21.66,;29.87,-20.88,;31.21,-21.65,;31.21,-23.19,;32.54,-20.88,;32.53,-19.34,;33.86,-18.56,;31.19,-18.57,;29.86,-19.35,;28.52,-18.59,;27.2,-19.35,;25.86,-18.59,;24.53,-19.36,;25.85,-17.05,;24.61,-16.14,;25.08,-14.68,;26.65,-14.7,;27.52,-13.42,;26.84,-12.04,;27.7,-10.76,;29.24,-10.88,;29.91,-12.26,;30.1,-9.59,;31.63,-9.71,;32.31,-11.1,;33.83,-11.22,;32.55,-10.34,;33.76,-9.31,;32.5,-8.44,;34.04,-8.56,;34.7,-9.95,;27.02,-9.38,;27.9,-8.11,;27.22,-6.72,;25.69,-6.61,;24.82,-7.9,;25.5,-9.27,;27.1,-16.14,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M2 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581193 (CHEMBL5084383) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2cccc(F)c2)s1 |r,wU:10.22,wD:33.34,(21.47,-24.81,;22.8,-25.58,;24.14,-24.81,;25.47,-25.58,;26.8,-24.81,;26.8,-23.26,;25.47,-22.49,;24.14,-23.26,;22.81,-22.49,;22.81,-20.95,;28.14,-22.48,;29.47,-23.25,;30.8,-22.47,;32.14,-23.24,;32.14,-24.78,;33.47,-22.47,;33.46,-20.93,;34.79,-20.15,;32.12,-20.16,;30.79,-20.94,;29.45,-20.18,;28.13,-20.94,;26.79,-20.18,;25.46,-20.95,;26.78,-18.64,;25.53,-17.74,;25.99,-16.27,;27.53,-16.27,;28.43,-15.02,;27.8,-13.61,;28.7,-12.36,;28.06,-10.96,;30.17,-12.47,;31.13,-11.27,;32.65,-11.5,;33.62,-10.31,;32.4,-9.34,;31.88,-10.85,;30.57,-9.84,;31.53,-8.64,;33.06,-8.87,;26.27,-13.46,;25.38,-14.71,;23.85,-14.57,;23.21,-13.16,;24.11,-11.9,;23.48,-10.5,;25.64,-12.06,;28.02,-17.73,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581190 (CHEMBL5076266) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(F)c(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1 |r,wU:10.22,wD:35.36,(65.48,-54.2,;66.82,-54.98,;68.15,-54.21,;69.48,-54.98,;70.82,-54.21,;70.82,-52.65,;69.48,-51.89,;68.15,-52.66,;66.82,-51.89,;66.82,-50.35,;72.15,-51.88,;73.48,-52.64,;74.81,-51.87,;74.8,-50.34,;73.46,-49.58,;76.13,-49.56,;77.47,-50.33,;78.8,-49.55,;77.48,-51.87,;76.15,-52.64,;76.15,-54.18,;72.14,-50.34,;70.8,-49.58,;69.47,-50.35,;70.8,-48.04,;69.47,-47.28,;69.45,-45.74,;70.79,-44.96,;69.92,-43.68,;72.13,-45.73,;73.46,-44.95,;73.45,-43.41,;74.78,-42.64,;74.78,-41.1,;76.12,-43.4,;77.45,-42.63,;78.79,-43.4,;80.11,-42.63,;80.12,-41.09,;78.78,-40.32,;77.44,-41.09,;78.3,-42.5,;79.33,-41.29,;72.12,-42.65,;72.12,-41.1,;70.79,-40.34,;69.45,-41.11,;69.46,-42.66,;70.8,-43.42,;72.13,-47.26,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581202 (CHEMBL5090464) Show SMILES [O-][n+]1cc(Cl)c(C[C@H](OC(=O)c2ccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3F)s2)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1 |r,wU:7.7,wD:20.19,(41.59,-14.5,;40.26,-15.27,;40.26,-16.81,;38.94,-17.59,;38.94,-19.13,;37.6,-16.82,;36.27,-17.59,;34.94,-16.83,;34.93,-15.29,;33.59,-14.52,;32.26,-15.3,;33.58,-12.98,;32.33,-12.09,;32.8,-10.62,;34.34,-10.62,;35.24,-9.36,;34.6,-7.96,;35.5,-6.71,;34.87,-5.31,;36.97,-6.82,;37.93,-5.62,;39.45,-5.85,;40.42,-4.65,;39.2,-3.69,;38.68,-5.2,;37.37,-4.19,;38.33,-2.99,;39.86,-3.22,;33.06,-7.82,;32.18,-9.07,;30.65,-8.94,;30,-7.53,;30.89,-6.27,;32.43,-6.41,;33.32,-5.16,;34.82,-12.08,;33.6,-17.6,;33.61,-19.15,;32.27,-19.92,;30.94,-19.15,;29.61,-19.92,;28.27,-19.15,;28.27,-17.61,;26.94,-19.92,;30.94,-17.61,;29.61,-16.84,;29.61,-15.3,;28.28,-14.53,;27.5,-13.2,;26.73,-14.54,;32.27,-16.84,;37.59,-15.29,;36.25,-14.53,;38.92,-14.51,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581199 (CHEMBL5090179) Show SMILES COc1cc(ccc1OC(F)F)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2F)s1 |r,wU:12.24,wD:35.36,(22.8,-20.95,;22.8,-22.49,;24.13,-23.26,;25.46,-22.49,;26.79,-23.25,;26.79,-24.8,;25.46,-25.57,;24.13,-24.8,;22.8,-25.57,;21.46,-24.8,;21.46,-23.26,;20.13,-25.57,;28.12,-22.47,;29.46,-23.24,;30.79,-22.46,;32.13,-23.23,;32.13,-24.77,;33.45,-22.46,;33.45,-20.92,;34.77,-20.14,;32.1,-20.16,;30.77,-20.93,;29.44,-20.18,;28.12,-20.93,;26.78,-20.17,;25.45,-20.94,;26.77,-18.63,;25.52,-17.73,;25.99,-16.27,;27.52,-16.26,;28.42,-15.01,;27.79,-13.61,;28.69,-12.36,;28.05,-10.95,;30.16,-12.47,;31.12,-11.26,;32.64,-11.5,;33.6,-10.3,;32.39,-9.34,;31.86,-10.85,;30.56,-9.84,;31.52,-8.63,;33.04,-8.87,;26.25,-13.46,;25.37,-14.72,;23.84,-14.58,;23.19,-13.17,;24.08,-11.92,;25.62,-12.06,;26.51,-10.81,;28.01,-17.72,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581188 (CHEMBL5076680) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)Cc1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1 |r,wU:10.22,wD:34.35,(26.37,-52.58,;27.7,-53.35,;29.04,-52.58,;30.37,-53.35,;31.71,-52.58,;31.7,-51.03,;30.37,-50.26,;29.04,-51.03,;27.7,-50.26,;27.7,-48.72,;33.03,-50.25,;34.37,-51.02,;35.7,-50.24,;35.69,-48.71,;34.35,-47.95,;37.01,-47.93,;38.36,-48.7,;39.69,-47.92,;38.36,-50.24,;37.03,-51.01,;37.04,-52.55,;33.03,-48.71,;31.69,-47.95,;30.36,-48.72,;31.68,-46.41,;30.34,-45.64,;30.28,-44.1,;28.92,-43.39,;27.62,-44.21,;26.27,-43.48,;26.23,-41.94,;27.54,-41.14,;27.51,-39.6,;28.89,-41.87,;30.21,-41.07,;31.56,-41.82,;32.87,-41.02,;32.84,-39.48,;31.49,-38.74,;30.17,-39.54,;31.05,-40.93,;32.06,-39.69,;24.88,-41.2,;24.85,-39.66,;23.5,-38.92,;22.18,-39.72,;22.22,-41.27,;23.58,-42,;27.69,-45.76,;29.05,-46.47,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581200 (CHEMBL5084829) Show SMILES CCOc1cc(ccc1OC(F)F)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2F)s1 |r,wU:13.25,wD:36.37,(8.35,-14.65,;9.68,-15.42,;9.68,-16.95,;11.02,-17.72,;12.34,-16.95,;13.67,-17.72,;13.68,-19.27,;12.34,-20.04,;11.01,-19.27,;9.68,-20.04,;8.34,-19.27,;8.34,-17.73,;7.01,-20.04,;15.01,-16.94,;16.34,-17.71,;17.67,-16.93,;19.01,-17.7,;19.01,-19.24,;20.34,-16.93,;20.33,-15.39,;21.66,-14.61,;18.99,-14.63,;17.66,-15.4,;16.32,-14.64,;15,-15.4,;13.66,-14.64,;12.33,-15.41,;13.66,-13.1,;12.4,-12.2,;12.87,-10.74,;14.41,-10.73,;15.31,-9.48,;14.67,-8.08,;15.57,-6.83,;14.94,-5.42,;17.05,-6.94,;18,-5.73,;19.53,-5.97,;20.49,-4.77,;19.27,-3.81,;18.75,-5.31,;17.44,-4.31,;18.41,-3.1,;19.93,-3.34,;13.14,-7.93,;12.25,-9.19,;10.72,-9.05,;10.07,-7.64,;10.97,-6.38,;12.5,-6.53,;13.4,-5.28,;14.9,-12.19,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581201 (CHEMBL5085717) Show SMILES CC(C)Oc1cc(ccc1OC(F)F)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2F)s1 |r,wU:14.26,wD:37.38,(8.35,-14.65,;9.68,-15.42,;11.02,-14.65,;9.68,-16.95,;11.02,-17.72,;12.34,-16.95,;13.67,-17.72,;13.68,-19.27,;12.34,-20.04,;11.01,-19.27,;9.68,-20.04,;8.34,-19.27,;8.34,-17.73,;7.01,-20.04,;15.01,-16.94,;16.34,-17.71,;17.67,-16.93,;19.01,-17.7,;19.01,-19.24,;20.34,-16.93,;20.33,-15.39,;21.66,-14.61,;18.99,-14.63,;17.66,-15.4,;16.32,-14.64,;15,-15.4,;13.66,-14.64,;12.33,-15.41,;13.66,-13.1,;12.4,-12.2,;12.87,-10.74,;14.41,-10.73,;15.31,-9.48,;14.67,-8.08,;15.57,-6.83,;14.94,-5.42,;17.05,-6.94,;18,-5.73,;19.53,-5.97,;20.49,-4.77,;19.27,-3.81,;18.75,-5.31,;17.44,-4.31,;18.41,-3.1,;19.93,-3.34,;13.14,-7.93,;12.25,-9.19,;10.72,-9.05,;10.07,-7.64,;10.97,-6.38,;12.5,-6.53,;13.4,-5.28,;14.9,-12.19,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581198 (CHEMBL5086769) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2cccc(O)c2)s1 |r,wU:10.22,wD:33.34,(21.46,-24.8,;22.8,-25.57,;24.13,-24.8,;25.46,-25.57,;26.79,-24.8,;26.79,-23.25,;25.46,-22.49,;24.13,-23.26,;22.8,-22.49,;22.8,-20.95,;28.12,-22.47,;29.46,-23.24,;30.79,-22.46,;32.13,-23.23,;32.13,-24.77,;33.45,-22.46,;33.45,-20.92,;34.77,-20.14,;32.1,-20.16,;30.77,-20.93,;29.44,-20.18,;28.12,-20.93,;26.78,-20.17,;25.45,-20.94,;26.77,-18.63,;25.52,-17.73,;25.99,-16.27,;27.52,-16.26,;28.42,-15.01,;27.79,-13.61,;28.69,-12.36,;28.05,-10.95,;30.16,-12.47,;31.12,-11.26,;32.64,-11.5,;33.6,-10.3,;32.39,-9.34,;31.86,-10.85,;30.56,-9.84,;31.52,-8.63,;33.04,-8.87,;26.25,-13.46,;25.37,-14.72,;23.84,-14.58,;23.19,-13.17,;24.08,-11.92,;23.44,-10.51,;25.62,-12.06,;28.01,-17.72,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581186 (CHEMBL5088742) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1cccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1 |r,wU:10.22,wD:34.35,(67,-31.8,;68.33,-32.57,;69.66,-31.81,;71,-32.58,;72.34,-31.8,;72.33,-30.25,;70.99,-29.49,;69.67,-30.26,;68.33,-29.49,;68.33,-27.95,;73.66,-29.48,;75,-30.24,;76.33,-29.47,;76.32,-27.94,;74.98,-27.18,;77.64,-27.16,;78.99,-27.93,;80.32,-27.15,;78.99,-29.47,;77.66,-30.24,;77.66,-31.78,;73.66,-27.94,;72.32,-27.17,;70.99,-27.95,;72.31,-25.63,;70.98,-24.88,;70.97,-23.34,;72.3,-22.56,;73.64,-23.33,;74.97,-22.55,;74.97,-21.01,;76.3,-20.24,;76.29,-18.7,;77.63,-21,;78.97,-20.23,;80.3,-21,;81.63,-20.23,;81.63,-18.69,;80.3,-17.92,;78.96,-18.69,;79.81,-20.1,;80.84,-18.89,;73.63,-20.25,;73.64,-18.7,;72.3,-17.94,;70.97,-18.71,;70.98,-20.26,;72.31,-21.02,;73.65,-24.86,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50455953 (CHEMBL4204358) Show SMILES [H][C@]12CN(C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2)c1ccccc1 |r,c:27,t:23| Show InChI InChI=1S/C29H33F2NO4/c1-26-9-8-19(34)11-22(26)23(30)12-21-20-10-17-14-32(18-6-4-3-5-7-18)16-28(17,25(36)15-33)27(20,2)13-24(35)29(21,26)31/h3-9,11,17,20-21,23-24,33,35H,10,12-16H2,1-2H3/t17-,20-,21-,23-,24-,26-,27-,28+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581185 (CHEMBL5076558) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1cccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1 |r,wU:10.22,wD:35.36,(49.9,-16.29,;51.24,-17.06,;52.57,-16.29,;53.91,-17.06,;55.24,-16.29,;55.24,-14.74,;53.9,-13.98,;52.57,-14.75,;51.24,-13.98,;51.24,-12.44,;56.57,-13.96,;57.91,-14.73,;59.24,-13.95,;59.22,-12.42,;57.89,-11.66,;60.55,-11.65,;61.89,-12.41,;63.22,-11.63,;61.9,-13.95,;60.57,-14.73,;60.57,-16.27,;56.56,-12.42,;55.23,-11.66,;53.9,-12.43,;55.22,-10.12,;53.89,-9.36,;53.88,-7.83,;55.21,-7.04,;56.55,-7.81,;57.88,-7.04,;57.88,-5.5,;59.21,-4.72,;60.54,-5.49,;60.55,-7.03,;61.87,-4.71,;63.21,-5.48,;63.21,-7.03,;64.54,-7.79,;65.87,-7.02,;65.87,-5.48,;64.54,-4.71,;65.29,-6.04,;63.75,-6.45,;59.2,-3.18,;60.54,-2.41,;60.53,-.87,;59.19,-.1,;57.86,-.89,;57.87,-2.42,;56.55,-9.35,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581183 (CHEMBL5087564) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1cccc(NC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1 |r,wU:10.22,wD:34.35,(2.97,-32.16,;4.31,-32.93,;5.64,-32.16,;6.98,-32.94,;8.31,-32.16,;8.31,-30.61,;6.97,-29.85,;5.64,-30.62,;4.31,-29.85,;4.31,-28.31,;9.64,-29.84,;10.98,-30.6,;12.31,-29.83,;12.29,-28.3,;10.95,-27.54,;13.62,-27.52,;14.96,-28.28,;16.29,-27.51,;14.97,-29.83,;13.64,-30.6,;13.64,-32.14,;9.63,-28.3,;8.3,-27.53,;6.97,-28.31,;8.29,-25.99,;6.96,-25.24,;6.95,-23.7,;8.28,-22.92,;9.62,-23.68,;10.95,-22.91,;10.95,-21.37,;12.28,-20.59,;12.27,-19.06,;13.61,-21.36,;14.94,-20.59,;16.28,-21.36,;17.61,-20.59,;17.61,-19.05,;16.27,-18.28,;14.93,-19.05,;15.79,-20.46,;16.82,-19.25,;9.61,-20.6,;9.61,-19.06,;8.28,-18.3,;6.95,-19.07,;6.96,-20.62,;8.29,-21.38,;9.62,-25.22,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581185 (CHEMBL5076558) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1cccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1 |r,wU:10.22,wD:35.36,(49.9,-16.29,;51.24,-17.06,;52.57,-16.29,;53.91,-17.06,;55.24,-16.29,;55.24,-14.74,;53.9,-13.98,;52.57,-14.75,;51.24,-13.98,;51.24,-12.44,;56.57,-13.96,;57.91,-14.73,;59.24,-13.95,;59.22,-12.42,;57.89,-11.66,;60.55,-11.65,;61.89,-12.41,;63.22,-11.63,;61.9,-13.95,;60.57,-14.73,;60.57,-16.27,;56.56,-12.42,;55.23,-11.66,;53.9,-12.43,;55.22,-10.12,;53.89,-9.36,;53.88,-7.83,;55.21,-7.04,;56.55,-7.81,;57.88,-7.04,;57.88,-5.5,;59.21,-4.72,;60.54,-5.49,;60.55,-7.03,;61.87,-4.71,;63.21,-5.48,;63.21,-7.03,;64.54,-7.79,;65.87,-7.02,;65.87,-5.48,;64.54,-4.71,;65.29,-6.04,;63.75,-6.45,;59.2,-3.18,;60.54,-2.41,;60.53,-.87,;59.19,-.1,;57.86,-.89,;57.87,-2.42,;56.55,-9.35,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581206 (CHEMBL5076886) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(NCc1ccc(s1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC)c(OC)c1)c1ccccc1)N2C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581195 (CHEMBL5085166) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccn2)s1 |r,wU:10.22,wD:33.34,(21.46,-24.8,;22.8,-25.57,;24.13,-24.8,;25.46,-25.57,;26.79,-24.8,;26.79,-23.25,;25.46,-22.49,;24.13,-23.26,;22.8,-22.49,;22.8,-20.95,;28.12,-22.47,;29.46,-23.24,;30.79,-22.46,;32.13,-23.23,;32.13,-24.77,;33.45,-22.46,;33.45,-20.92,;34.77,-20.14,;32.1,-20.16,;30.77,-20.93,;29.44,-20.18,;28.12,-20.93,;26.78,-20.17,;25.45,-20.94,;26.77,-18.63,;25.52,-17.73,;25.99,-16.27,;27.52,-16.26,;28.42,-15.01,;27.79,-13.61,;28.69,-12.36,;28.05,-10.95,;30.16,-12.47,;31.12,-11.26,;32.64,-11.5,;33.6,-10.3,;32.39,-9.34,;31.86,-10.85,;30.56,-9.84,;31.52,-8.63,;33.04,-8.87,;26.26,-13.46,;25.37,-14.71,;23.84,-14.56,;23.2,-13.15,;24.1,-11.9,;25.63,-12.05,;28.01,-17.72,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581206 (CHEMBL5076886) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(NCc1ccc(s1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC)c(OC)c1)c1ccccc1)N2C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50354851 (FLUTICASONE FUROATE | Veramyst) Show SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF |r,c:12,t:8| Show InChI InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	DrugBank PDB Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50456008 (CHEMBL4216231) Show SMILES [H][C@]12CN(C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2)c1cccc(Cl)c1 |r,c:27,t:23| Show InChI InChI=1S/C29H32ClF2NO4/c1-26-7-6-19(35)10-22(26)23(31)11-21-20-8-16-13-33(18-5-3-4-17(30)9-18)15-28(16,25(37)14-34)27(20,2)12-24(36)29(21,26)32/h3-7,9-10,16,20-21,23-24,34,36H,8,11-15H2,1-2H3/t16-,20-,21-,23-,24-,26-,27-,28+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50455909 (CHEMBL4214152) Show SMILES [H][C@]12CN(C[C@@]1(C(=O)CF)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2)c1ccccc1 |r,c:27,t:23| Show InChI InChI=1S/C29H32F3NO3/c1-26-9-8-19(34)11-22(26)23(31)12-21-20-10-17-15-33(18-6-4-3-5-7-18)16-28(17,25(36)14-30)27(20,2)13-24(35)29(21,26)32/h3-9,11,17,20-21,23-24,35H,10,12-16H2,1-2H3/t17-,20-,21-,23-,24-,26-,27-,28+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50455947 (CHEMBL4202533) Show SMILES [H][C@]12CN(Cc3ccccc3)C[C@@]1(C(=O)CF)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:35,t:31| Show InChI InChI=1S/C30H34F3NO3/c1-27-9-8-20(35)11-23(27)24(32)12-22-21-10-19-16-34(15-18-6-4-3-5-7-18)17-29(19,26(37)14-31)28(21,2)13-25(36)30(22,27)33/h3-9,11,19,21-22,24-25,36H,10,12-17H2,1-2H3/t19-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50456007 (CHEMBL4208957) Show SMILES [H][C@]12CN(Cc3ccc(C)cc3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:36,t:32| Show InChI InChI=1S/C31H37F2NO4/c1-18-4-6-19(7-5-18)14-34-15-20-10-22-23-12-25(32)24-11-21(36)8-9-28(24,2)31(23,33)26(37)13-29(22,3)30(20,17-34)27(38)16-35/h4-9,11,20,22-23,25-26,35,37H,10,12-17H2,1-3H3/t20-,22-,23-,25-,26-,28-,29-,30+,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50455950 (CHEMBL4206713) Show SMILES [H][C@]12CN(Cc3cccc(C)c3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:36,t:32| Show InChI InChI=1S/C31H37F2NO4/c1-18-5-4-6-19(9-18)14-34-15-20-10-22-23-12-25(32)24-11-21(36)7-8-28(24,2)31(23,33)26(37)13-29(22,3)30(20,17-34)27(38)16-35/h4-9,11,20,22-23,25-26,35,37H,10,12-17H2,1-3H3/t20-,22-,23-,25-,26-,28-,29-,30+,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50455951 (CHEMBL4208840) Show SMILES [H][C@]12CN(Cc3cc4ccccc4s3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:39,t:35| Show InChI InChI=1S/C32H35F2NO4S/c1-29-8-7-20(37)11-24(29)25(33)12-23-22-10-19-14-35(15-21-9-18-5-3-4-6-26(18)40-21)17-31(19,28(39)16-36)30(22,2)13-27(38)32(23,29)34/h3-9,11,19,22-23,25,27,36,38H,10,12-17H2,1-2H3/t19-,22-,23-,25-,27-,29-,30-,31+,32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50455990 (CHEMBL4217173) Show SMILES [H][C@]12CN(Cc3cccc(Cl)c3)C[C@@]1(C(=O)OCF)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:37,t:33| Show InChI InChI=1S/C30H33ClF3NO4/c1-27-7-6-20(36)10-23(27)24(33)11-22-21-9-18-14-35(13-17-4-3-5-19(31)8-17)15-29(18,26(38)39-16-32)28(21,2)12-25(37)30(22,27)34/h3-8,10,18,21-22,24-25,37H,9,11-16H2,1-2H3/t18-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50455905 (CHEMBL4203448) Show SMILES [H][C@]12CN(Cc3cccc(Cl)c3)C[C@@]1(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:35,t:31| Show InChI InChI=1S/C30H34ClF2NO3/c1-17(35)29-16-34(14-18-5-4-6-20(31)9-18)15-19(29)10-22-23-12-25(32)24-11-21(36)7-8-27(24,2)30(23,33)26(37)13-28(22,29)3/h4-9,11,19,22-23,25-26,37H,10,12-16H2,1-3H3/t19-,22-,23-,25-,26-,27-,28-,29-,30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50455952 (CHEMBL4217175) Show SMILES [H][C@]12CN(Cc3ccc(CSc4ccc(O)cc4)cc3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:45,t:41| Show InChI InChI=1S/C37H41F2NO5S/c1-34-12-11-26(43)14-30(34)31(38)15-29-28-13-24-18-40(21-36(24,33(45)19-41)35(28,2)16-32(44)37(29,34)39)17-22-3-5-23(6-4-22)20-46-27-9-7-25(42)8-10-27/h3-12,14,24,28-29,31-32,41-42,44H,13,15-21H2,1-2H3/t24-,28-,29-,31-,32-,34-,35-,36+,37-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581184 (CHEMBL5094110) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1cccc(c1)S(=O)(=O)NC(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |r,wU:10.22,wD:38.40,(23.58,-31.52,;24.91,-32.29,;26.24,-31.52,;27.58,-32.29,;28.92,-31.52,;28.91,-29.97,;27.58,-29.2,;26.25,-29.97,;24.91,-29.21,;24.91,-27.67,;30.24,-29.19,;31.58,-29.96,;32.91,-29.18,;32.9,-27.65,;31.56,-26.89,;34.22,-26.87,;35.57,-27.64,;36.9,-26.86,;35.57,-29.18,;34.24,-29.95,;34.24,-31.49,;30.24,-27.65,;28.9,-26.89,;27.57,-27.66,;28.89,-25.35,;27.56,-24.59,;27.55,-23.06,;28.88,-22.27,;30.22,-23.04,;30.23,-24.58,;31.55,-22.26,;33.09,-22.26,;32.32,-23.59,;31.55,-20.72,;32.88,-19.95,;34.22,-20.72,;34.22,-22.26,;35.55,-19.94,;36.88,-20.71,;36.88,-22.25,;38.21,-23.02,;39.55,-22.25,;39.55,-20.71,;38.21,-19.94,;38.91,-21.44,;37.43,-21.68,;32.87,-18.41,;34.22,-17.63,;34.21,-16.1,;32.87,-15.33,;31.54,-16.11,;31.55,-17.65,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581181 (CHEMBL5086895) Show SMILES [O-][n+]1cc(Cl)c(C[C@H](OC(=O)c2cccc(CNC(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c2)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1 |r,wU:7.7,wD:22.21,(59.38,-8.9,;58.05,-9.67,;56.71,-8.91,;55.38,-9.69,;54.04,-8.93,;55.39,-11.22,;54.06,-11.99,;52.73,-11.23,;52.72,-9.69,;51.38,-8.92,;50.05,-9.7,;51.38,-7.38,;50.05,-6.62,;50.04,-5.09,;51.37,-4.31,;52.71,-5.07,;54.03,-4.29,;54.03,-2.76,;55.36,-1.98,;56.7,-2.75,;56.71,-4.29,;58.03,-1.97,;59.37,-2.74,;59.37,-4.29,;60.7,-5.05,;62.03,-4.29,;62.03,-2.74,;60.69,-1.97,;61.4,-3.48,;59.91,-3.71,;55.36,-.44,;56.7,.34,;56.7,1.88,;55.36,2.65,;54.02,1.86,;54.04,.33,;52.71,-6.61,;51.4,-12,;51.4,-13.55,;50.06,-14.32,;48.73,-13.55,;47.4,-14.32,;46.06,-13.55,;44.73,-14.32,;46.06,-12.01,;48.73,-12.01,;47.4,-11.24,;47.4,-9.7,;46.06,-8.93,;45.3,-7.6,;44.53,-8.93,;50.06,-11.24,;56.73,-11.99,;56.73,-13.53,;58.06,-11.21,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581205 (CHEMBL5077424) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C)C(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:35.36,(20.59,-23.22,;21.92,-23.99,;23.26,-23.22,;24.59,-23.99,;25.92,-23.22,;25.92,-21.67,;24.59,-20.9,;23.26,-21.68,;21.93,-20.91,;21.93,-19.37,;27.26,-20.89,;28.59,-21.66,;29.92,-20.88,;31.26,-21.65,;31.26,-23.19,;32.59,-20.88,;32.58,-19.34,;33.91,-18.56,;31.24,-18.57,;29.91,-19.35,;28.57,-18.59,;27.25,-19.35,;25.91,-18.59,;24.58,-19.36,;25.9,-17.05,;24.65,-16.14,;25.12,-14.68,;26.7,-14.7,;27.56,-13.42,;26.89,-12.04,;25.35,-11.93,;27.75,-10.76,;29.28,-10.88,;29.96,-12.26,;30.14,-9.59,;31.68,-9.71,;32.35,-11.1,;33.88,-11.22,;32.59,-10.34,;33.8,-9.31,;32.54,-8.44,;34.08,-8.56,;34.75,-9.95,;27.07,-9.38,;27.94,-8.11,;27.27,-6.72,;25.73,-6.61,;24.87,-7.9,;25.54,-9.27,;27.15,-16.14,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50581205 (CHEMBL5077424) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C)C(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:35.36,(20.59,-23.22,;21.92,-23.99,;23.26,-23.22,;24.59,-23.99,;25.92,-23.22,;25.92,-21.67,;24.59,-20.9,;23.26,-21.68,;21.93,-20.91,;21.93,-19.37,;27.26,-20.89,;28.59,-21.66,;29.92,-20.88,;31.26,-21.65,;31.26,-23.19,;32.59,-20.88,;32.58,-19.34,;33.91,-18.56,;31.24,-18.57,;29.91,-19.35,;28.57,-18.59,;27.25,-19.35,;25.91,-18.59,;24.58,-19.36,;25.9,-17.05,;24.65,-16.14,;25.12,-14.68,;26.7,-14.7,;27.56,-13.42,;26.89,-12.04,;25.35,-11.93,;27.75,-10.76,;29.28,-10.88,;29.96,-12.26,;30.14,-9.59,;31.68,-9.71,;32.35,-11.1,;33.88,-11.22,;32.59,-10.34,;33.8,-9.31,;32.54,-8.44,;34.08,-8.56,;34.75,-9.95,;27.07,-9.38,;27.94,-8.11,;27.27,-6.72,;25.73,-6.61,;24.87,-7.9,;25.54,-9.27,;27.15,-16.14,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00204 BindingDB Entry DOI: 10.7270/Q2DN48WC
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50455954 (CHEMBL4203139) Show SMILES [H][C@]12CN(C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2)S(=O)(=O)c1cccs1 |r,c:27,t:23| Show InChI InChI=1S/C27H31F2NO6S2/c1-24-6-5-16(32)9-19(24)20(28)10-18-17-8-15-12-30(38(35,36)23-4-3-7-37-23)14-26(15,22(34)13-31)25(17,2)11-21(33)27(18,24)29/h3-7,9,15,17-18,20-21,31,33H,8,10-14H2,1-2H3/t15-,17-,18-,20-,21-,24-,25-,26+,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50455949 (CHEMBL4211724) Show SMILES [H][C@]12CN(Cc3ccc(cc3)C(F)(F)F)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:39,t:35| Show InChI InChI=1S/C31H34F5NO4/c1-27-8-7-20(39)10-23(27)24(32)11-22-21-9-19-14-37(13-17-3-5-18(6-4-17)31(34,35)36)16-29(19,26(41)15-38)28(21,2)12-25(40)30(22,27)33/h3-8,10,19,21-22,24-25,38,40H,9,11-16H2,1-2H3/t19-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50455948 (CHEMBL4204087) Show SMILES [H][C@]12CN(Cc3ccccc3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:35,t:31| Show InChI InChI=1S/C30H35F2NO4/c1-27-9-8-20(35)11-23(27)24(31)12-22-21-10-19-15-33(14-18-6-4-3-5-7-18)17-29(19,26(37)16-34)28(21,2)13-25(36)30(22,27)32/h3-9,11,19,21-22,24-25,34,36H,10,12-17H2,1-2H3/t19-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50455906 (CHEMBL4202674) Show SMILES [H][C@]12CN(C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2)C(=O)OCc1ccccc1 |r,c:27,t:23| Show InChI InChI=1S/C31H35F2NO6/c1-28-9-8-20(36)11-23(28)24(32)12-22-21-10-19-14-34(27(39)40-16-18-6-4-3-5-7-18)17-30(19,26(38)15-35)29(21,2)13-25(37)31(22,28)33/h3-9,11,19,21-22,24-25,35,37H,10,12-17H2,1-2H3/t19-,21-,22-,24-,25-,28-,29-,30+,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50456002 (CHEMBL4211166) Show SMILES [H][C@]12CN(C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2)c1ccc(Cl)cc1 |r,c:27,t:23| Show InChI InChI=1S/C29H32ClF2NO4/c1-26-8-7-19(35)10-22(26)23(31)11-21-20-9-16-13-33(18-5-3-17(30)4-6-18)15-28(16,25(37)14-34)27(20,2)12-24(36)29(21,26)32/h3-8,10,16,20-21,23-24,34,36H,9,11-15H2,1-2H3/t16-,20-,21-,23-,24-,26-,27-,28+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50455904 (CHEMBL4213765) Show SMILES [H][C@]12CN(Cc3ccc4ccccc4n3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:40,t:36| Show InChI InChI=1S/C33H36F2N2O4/c1-30-10-9-22(39)12-25(30)26(34)13-24-23-11-20-15-37(16-21-8-7-19-5-3-4-6-27(19)36-21)18-32(20,29(41)17-38)31(23,2)14-28(40)33(24,30)35/h3-10,12,20,23-24,26,28,38,40H,11,13-18H2,1-2H3/t20-,23-,24-,26-,28-,30-,31-,32+,33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50455989 (CHEMBL4215262) Show SMILES [H][C@]12CN(Cc3ccccc3)C[C@@]1(C(=O)OC)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:35,t:31| Show InChI InChI=1S/C30H35F2NO4/c1-27-10-9-20(34)12-23(27)24(31)13-22-21-11-19-16-33(15-18-7-5-4-6-8-18)17-29(19,26(36)37-3)28(21,2)14-25(35)30(22,27)32/h4-10,12,19,21-22,24-25,35H,11,13-17H2,1-3H3/t19-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50455912 (CHEMBL4204230) Show SMILES [H][C@]12CN(Cc3cccc(Cl)c3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:36,t:32| Show InChI InChI=1S/C30H34ClF2NO4/c1-27-7-6-20(36)10-23(27)24(32)11-22-21-9-18-14-34(13-17-4-3-5-19(31)8-17)16-29(18,26(38)15-35)28(21,2)12-25(37)30(22,27)33/h3-8,10,18,21-22,24-25,35,37H,9,11-16H2,1-2H3/t18-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...				J Med Chem 61: 4757-4773 (2018) Article DOI: 10.1021/acs.jmedchem.7b01873 BindingDB Entry DOI: 10.7270/Q2JS9T19
					More data for this Ligand-Target Pair

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