Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50538209'   

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))	BDBM50538209 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
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