Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50079583'   

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)	BDBM50079583 ((R)-3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicy...) Show SMILES CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 |TLB:13:14:20:18.17| Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Binding affinity against M1 receptor was determined by displacing [3H]OXO-M in rat cortical homogenate				Bioorg Med Chem Lett 9: 1895-900 (1999) BindingDB Entry DOI: 10.7270/Q2G161CX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50079583 ((R)-3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicy...) Show SMILES CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 |TLB:13:14:20:18.17| Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand				Bioorg Med Chem Lett 9: 1895-900 (1999) BindingDB Entry DOI: 10.7270/Q2G161CX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50079583 ((R)-3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicy...) Show SMILES CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 |TLB:13:14:20:18.17| Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro functional agonism against M1 muscarinic receptor (PI)				Bioorg Med Chem Lett 9: 1895-900 (1999) BindingDB Entry DOI: 10.7270/Q2G161CX
					More data for this Ligand-Target Pair