Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50419491'   

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))	BDBM50419491 (CHEMBL1921927) Show SMILES C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:1.8,11.11,(27.45,-44.75,;27.46,-43.2,;27.46,-41.66,;28.8,-40.89,;28.79,-39.35,;27.46,-38.57,;26.12,-39.35,;26.11,-40.9,;28.8,-43.98,;28.81,-45.52,;30.14,-43.2,;31.48,-43.97,;31.48,-45.52,;32.82,-46.28,;32.87,-47.82,;34.22,-48.55,;35.53,-47.74,;36.89,-48.46,;38.19,-47.64,;39.55,-48.37,;40.85,-47.56,;40.8,-46.02,;39.43,-45.29,;38.13,-46.11,;34.16,-45.52,;34.16,-43.97,;32.82,-43.18,;32.04,-44.51,;33.52,-44.91,;26.13,-43.98,;24.8,-43.22,;23.47,-43.99,;23.48,-45.53,;24.82,-46.29,;26.15,-45.51,)| Show InChI InChI=1S/C31H43N2O2/c1-31(28-16-7-3-8-17-28,32-20-10-4-11-21-32)30(34)35-29-25-33(23-18-27(29)19-24-33)22-12-9-15-26-13-5-2-6-14-26/h2-3,5-8,13-14,16-17,27,29H,4,9-12,15,18-25H2,1H3/q+1/t27?,29-,31-,33?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	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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