Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50045518   

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 (Homo sapiens (Human))	BDBM50066074 (CHEMBL3402918) Show SMILES CSCC1CC(=NO1)C1=CCCN(C)C1 |c:5,t:9| Show InChI InChI=1S/C11H18N2OS/c1-13-5-3-4-9(7-13)11-6-10(8-15-2)14-12-11/h4,10H,3,5-8H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.68E+3	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Agonist activity at human m1 muscarinic acetylcholine receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1546-51 (2015) Article DOI: 10.1016/j.bmcl.2015.02.012 BindingDB Entry DOI: 10.7270/Q2V69M8W
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50066075 (CHEMBL3402919) Show SMILES CN1CCC=C(C1)C1=NOC(C1)C#N |c:4,t:8| Show InChI InChI=1S/C10H13N3O/c1-13-4-2-3-8(7-13)10-5-9(6-11)14-12-10/h3,9H,2,4-5,7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.54E+3	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Agonist activity at human m1 muscarinic acetylcholine receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1546-51 (2015) Article DOI: 10.1016/j.bmcl.2015.02.012 BindingDB Entry DOI: 10.7270/Q2V69M8W
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50066076 (CHEMBL3402921) Show SMILES CN1CCC=C(C1)C1=NOC(C1)N1CCCC1=O |c:4,t:8| Show InChI InChI=1S/C13H19N3O2/c1-15-6-2-4-10(9-15)11-8-13(18-14-11)16-7-3-5-12(16)17/h4,13H,2-3,5-9H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Agonist activity at human m1 muscarinic acetylcholine receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1546-51 (2015) Article DOI: 10.1016/j.bmcl.2015.02.012 BindingDB Entry DOI: 10.7270/Q2V69M8W
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50066077 (CHEMBL3402922) Show SMILES CN1CCC=C(C1)C1=NOC(O)C1 |c:4,t:8| Show InChI InChI=1S/C9H14N2O2/c1-11-4-2-3-7(6-11)8-5-9(12)13-10-8/h3,9,12H,2,4-6H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Agonist activity at human m1 muscarinic acetylcholine receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1546-51 (2015) Article DOI: 10.1016/j.bmcl.2015.02.012 BindingDB Entry DOI: 10.7270/Q2V69M8W
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM10759 (2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...) Show SMILES CC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Agonist activity at human m1 muscarinic acetylcholine receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1546-51 (2015) Article DOI: 10.1016/j.bmcl.2015.02.012 BindingDB Entry DOI: 10.7270/Q2V69M8W
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50066079 (Milameline) Show SMILES CO\N=C\C1=CCCN(C)C1 |t:4| Show InChI InChI=1S/C8H14N2O/c1-10-5-3-4-8(7-10)6-9-11-2/h4,6H,3,5,7H2,1-2H3/b9-6+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Agonist activity at human m1 muscarinic acetylcholine receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1546-51 (2015) Article DOI: 10.1016/j.bmcl.2015.02.012 BindingDB Entry DOI: 10.7270/Q2V69M8W
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50004665 ((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...) Show SMILES O=C1CCCN1CC#CCN1CCCC1 Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Agonist activity at human m1 muscarinic acetylcholine receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1546-51 (2015) Article DOI: 10.1016/j.bmcl.2015.02.012 BindingDB Entry DOI: 10.7270/Q2V69M8W
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50008072 ((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...) Show SMILES CC[C@H]1[C@@H](Cc2cncn2C)COC1=O |r| Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Agonist activity at human m1 muscarinic acetylcholine receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1546-51 (2015) Article DOI: 10.1016/j.bmcl.2015.02.012 BindingDB Entry DOI: 10.7270/Q2V69M8W
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50066078 (CHEMBL3402923) Show SMILES CN1CCC=C(C1)c1ccon1 |c:4| Show InChI InChI=1S/C9H12N2O/c1-11-5-2-3-8(7-11)9-4-6-12-10-9/h3-4,6H,2,5,7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	780	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Agonist activity at human m1 muscarinic acetylcholine receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1546-51 (2015) Article DOI: 10.1016/j.bmcl.2015.02.012 BindingDB Entry DOI: 10.7270/Q2V69M8W
					More data for this Ligand-Target Pair