Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50467886'   

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 (Aedes aegypti)	BDBM50467886 (CHEMBL4291400) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(I)cc1 Show InChI InChI=1S/C19H28IN3O2/c1-2-21-11-13-22(14-12-21)17-7-9-23(10-8-17)19(24)15-25-18-5-3-16(20)4-6-18/h3-6,17H,2,7-15H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Aedes aegypti AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellm...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467886 (CHEMBL4291400) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(I)cc1 Show InChI InChI=1S/C19H28IN3O2/c1-2-21-11-13-22(14-12-21)17-7-9-23(10-8-17)19(24)15-25-18-5-3-16(20)4-6-18/h3-6,17H,2,7-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467886 (CHEMBL4291400) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(I)cc1 Show InChI InChI=1S/C19H28IN3O2/c1-2-21-11-13-22(14-12-21)17-7-9-23(10-8-17)19(24)15-25-18-5-3-16(20)4-6-18/h3-6,17H,2,7-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 G122S mutant expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured ove...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50467886 (CHEMBL4291400) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(I)cc1 Show InChI InChI=1S/C19H28IN3O2/c1-2-21-11-13-22(14-12-21)17-7-9-23(10-8-17)19(24)15-25-18-5-3-16(20)4-6-18/h3-6,17H,2,7-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair