Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50028860   

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))	BDBM50038733 ((3aS,8aR)-1-ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydr...) Show SMILES CCCCCCNC(=O)Oc1ccc2C[C@H]3N(CC)CC[C@@]3(C)c2c1 Show InChI InChI=1S/C21H32N2O2/c1-4-6-7-8-12-22-20(24)25-17-10-9-16-14-19-21(3,18(16)15-17)11-13-23(19)5-2/h9-10,15,19H,4-8,11-14H2,1-3H3,(H,22,24)/t19-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit acetylcholinesterase isolated from human erythrocytes				Bioorg Med Chem Lett 1: 47-50 (1991) Article DOI: 10.1016/S0960-894X(01)81088-X BindingDB Entry DOI: 10.7270/Q25X28VR
					More data for this Ligand-Target Pair
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	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit acetylcholinesterase isolated from human erythrocytes				Bioorg Med Chem Lett 1: 47-50 (1991) Article DOI: 10.1016/S0960-894X(01)81088-X BindingDB Entry DOI: 10.7270/Q25X28VR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50279804 (CHEMBL359198 | Hexyl-carbamic acid (3aR,8aS)-1-eth...) Show SMILES CCCCCCNC(=O)Oc1ccc2C[C@@H]3N(CC)CC[C@]3(C)c2c1 Show InChI InChI=1S/C21H32N2O2/c1-4-6-7-8-12-22-20(24)25-17-10-9-16-14-19-21(3,18(16)15-17)11-13-23(19)5-2/h9-10,15,19H,4-8,11-14H2,1-3H3,(H,22,24)/t19-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	233	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit acetylcholinesterase isolated from human erythrocytes				Bioorg Med Chem Lett 1: 47-50 (1991) Article DOI: 10.1016/S0960-894X(01)81088-X BindingDB Entry DOI: 10.7270/Q25X28VR
					More data for this Ligand-Target Pair