Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50037111   

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))	BDBM50109647 (2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...) Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M3				J Med Chem 45: 984-7 (2002) BindingDB Entry DOI: 10.7270/Q2P26ZVK
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50109650 (CHEMBL369062 | N-{2-[(1-Cyclohexylmethyl-piperidin...) Show SMILES O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1 Show InChI InChI=1S/C41H54N4O3/c46-38(43-27-25-39(47)44-30-34-17-14-28-45(32-34)31-33-15-5-1-6-16-33)24-13-26-42-40(48)29-41(35-18-7-2-8-19-35,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h2-4,7-12,18-23,33-34H,1,5-6,13-17,24-32H2,(H,42,48)(H,43,46)(H,44,47)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M3				J Med Chem 45: 984-7 (2002) BindingDB Entry DOI: 10.7270/Q2P26ZVK
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50109644 (CHEMBL177040 | N-(1-Cyclohexylmethyl-piperidin-3-y...) Show SMILES O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1 Show InChI InChI=1S/C40H52N4O3/c45-37(42-28-33-17-14-26-44(31-33)30-32-15-5-1-6-16-32)24-13-25-41-39(47)29-43-38(46)27-40(34-18-7-2-8-19-34,35-20-9-3-10-21-35)36-22-11-4-12-23-36/h2-4,7-12,18-23,32-33H,1,5-6,13-17,24-31H2,(H,41,47)(H,42,45)(H,43,46)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M3				J Med Chem 45: 984-7 (2002) BindingDB Entry DOI: 10.7270/Q2P26ZVK
					More data for this Ligand-Target Pair