Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50039281   

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 M4 (Homo sapiens (Human))	BDBM50122054 (8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1 |c:13| Show InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M4 receptor expressed in BHK-21 cells coexpressing Galpha16 subunit assessed as increase of acetylcholine-induce...				J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50003359 (5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...) Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13| Show InChI InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	6.20	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M4 receptor expressed in BHK-21 cells coexpressing Galpha16 subunit assessed as increase of acetylcholine-induce...				J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M4 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M4 receptor expressed in BHK-21 cells coexpressing Galpha16 subunit assessed as increase of acetylcholine-induce...				J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50326217 (CHEMBL1242979 | N-{1-[3-(6,7-Difluoro-2-oxo-3,4-di...) Show SMILES COc1ccc(CC(=O)NC2CCN(CCCN3C(=O)CCc4cc(F)c(F)cc34)CC2)cc1OC Show InChI InChI=1S/C27H33F2N3O4/c1-35-24-6-4-18(14-25(24)36-2)15-26(33)30-20-8-12-31(13-9-20)10-3-11-32-23-17-22(29)21(28)16-19(23)5-7-27(32)34/h4,6,14,16-17,20H,3,5,7-13,15H2,1-2H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M4 receptor expressed in BHK-21 cells coexpressing Galpha16 subunit assessed as increase of acetylcholine-induce...				J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K
					More data for this Ligand-Target Pair