Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50047319   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase using acetylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured aft...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50160077 (CHEMBL3785861) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cc[nH]c1 Show InChI InChI=1S/C22H32N4O2/c1-4-5-6-7-8-12-24-22(27)28-19-9-10-20-18(14-19)16-25(2)21(26(20)3)17-11-13-23-15-17/h9-11,13-15,21,23H,4-8,12,16H2,1-3H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	852	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase using acetylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured aft...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50160076 (CHEMBL3787116) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccc(F)cc1 Show InChI InChI=1S/C24H32FN3O2/c1-4-5-6-7-8-15-26-24(29)30-21-13-14-22-19(16-21)17-27(2)23(28(22)3)18-9-11-20(25)12-10-18/h9-14,16,23H,4-8,15,17H2,1-3H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase using acetylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured aft...				J Med Chem 59: 2067-82 (2016) Article DOI: 10.1021/acs.jmedchem.5b01674 BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair