Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50176728'   

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))	BDBM50176728 (1-(5H-dibenzo[a,d]cyclohepten-5-yl)-3-((R)-3-metho...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)C1c2ccccc2C=Cc2ccccc12 |wU:2.1,wD:2.11,c:24,THB:1:2:5.6:9.8,(28.24,-38.26,;29.73,-38.65,;30.15,-40.14,;30.34,-41.52,;31.87,-40.86,;33.24,-41.49,;32.97,-40.1,;31.61,-39.5,;31.68,-37.86,;32.13,-38.97,;28.65,-40.54,;27.15,-40.93,;25.66,-41.33,;24.57,-40.24,;25.26,-42.82,;23.74,-43.1,;22.92,-41.8,;21.38,-41.86,;20.67,-43.23,;21.49,-44.52,;23.02,-44.46,;23.64,-45.87,;25.13,-46.28,;26.36,-45.36,;27.67,-46.17,;29.03,-45.44,;29.08,-43.89,;27.76,-43.08,;26.41,-43.81,)| Show InChI InChI=1S/C26H27NO2/c1-29-26(18-27-16-13-21(26)14-17-27)15-12-24(28)25-22-8-4-2-6-19(22)10-11-20-7-3-5-9-23(20)25/h2-11,21,24-25,28H,13-14,16-18H2,1H3/t24?,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Binding affinity to human muscarinic M3 receptor				Bioorg Med Chem Lett 16: 373-7 (2005) Article DOI: 10.1016/j.bmcl.2005.09.079 BindingDB Entry DOI: 10.7270/Q2T72J70
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