Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50374004'   

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 M1 (RAT)	BDBM50374004 (CHEMBL271108) Show SMILES CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41| Show InChI InChI=1S/C52H60BF2N5O4S/c1-37(2)58(38(3)4)32-29-46(41-12-7-5-8-13-41)47-34-40(19-27-49(47)61)28-31-57-51(62)15-9-6-10-30-56-52(63)36-64-45-24-17-39(18-25-45)16-20-42-21-22-43-35-44-23-26-48(50-14-11-33-65-50)60(44)53(54,55)59(42)43/h5,7-8,11-14,16-27,33-35,37-38,46,61H,6,9-10,15,28-32,36H2,1-4H3,(H,56,63)(H,57,62)/b42-20+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M1 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50374004 (CHEMBL271108) Show SMILES CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41| Show InChI InChI=1S/C52H60BF2N5O4S/c1-37(2)58(38(3)4)32-29-46(41-12-7-5-8-13-41)47-34-40(19-27-49(47)61)28-31-57-51(62)15-9-6-10-30-56-52(63)36-64-45-24-17-39(18-25-45)16-20-42-21-22-43-35-44-23-26-48(50-14-11-33-65-50)60(44)53(54,55)59(42)43/h5,7-8,11-14,16-27,33-35,37-38,46,61H,6,9-10,15,28-32,36H2,1-4H3,(H,56,63)(H,57,62)/b42-20+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair