Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50419494'   

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))	BDBM50419494 (CHEMBL1921924) Show SMILES C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCc3nc4ccccc4o3)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:1.8,11.11,(-1.16,-4.27,;-1.15,-2.72,;-1.16,-1.18,;.18,-.41,;.18,1.13,;-1.16,1.91,;-2.5,1.13,;-2.5,-.42,;.19,-3.5,;.2,-5.05,;1.53,-2.72,;2.88,-3.49,;2.88,-5.04,;4.21,-5.8,;4.26,-7.34,;5.61,-8.07,;6.92,-7.26,;8.28,-7.99,;9.52,-7.08,;10.77,-7.99,;12.26,-7.67,;13.28,-8.81,;12.81,-10.27,;11.31,-10.58,;10.29,-9.44,;8.75,-9.45,;5.55,-5.04,;5.55,-3.49,;4.21,-2.7,;3.43,-4.03,;4.91,-4.43,;-2.48,-3.5,;-3.81,-2.73,;-5.14,-3.51,;-5.13,-5.05,;-3.79,-5.81,;-2.46,-5.03,)| Show InChI InChI=1S/C31H40N3O3/c1-31(25-11-4-2-5-12-25,33-18-8-3-9-19-33)30(35)37-28-23-34(21-16-24(28)17-22-34)20-10-15-29-32-26-13-6-7-14-27(26)36-29/h2,4-7,11-14,24,28H,3,8-10,15-23H2,1H3/q+1/t24?,28-,31-,34?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]NMS from recombinant human M3 receptor expressed in CHO-K1 cells after 16 hrs				Bioorg Med Chem Lett 21: 7440-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.002 BindingDB Entry DOI: 10.7270/Q2H41SPH
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