Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50467883'   

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)	BDBM50467883 (CHEMBL4287340) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc2C(=O)CCc2c1 Show InChI InChI=1S/C22H31N3O3/c1-2-23-11-13-24(14-12-23)18-7-9-25(10-8-18)22(27)16-28-19-4-5-20-17(15-19)3-6-21(20)26/h4-5,15,18H,2-3,6-14,16H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	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)	BDBM50467883 (CHEMBL4287340) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc2C(=O)CCc2c1 Show InChI InChI=1S/C22H31N3O3/c1-2-23-11-13-24(14-12-23)18-7-9-25(10-8-18)22(27)16-28-19-4-5-20-17(15-19)3-6-21(20)26/h4-5,15,18H,2-3,6-14,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	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)	BDBM50467883 (CHEMBL4287340) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc2C(=O)CCc2c1 Show InChI InChI=1S/C22H31N3O3/c1-2-23-11-13-24(14-12-23)18-7-9-25(10-8-18)22(27)16-28-19-4-5-20-17(15-19)3-6-21(20)26/h4-5,15,18H,2-3,6-14,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	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))	BDBM50467883 (CHEMBL4287340) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc2C(=O)CCc2c1 Show InChI InChI=1S/C22H31N3O3/c1-2-23-11-13-24(14-12-23)18-7-9-25(10-8-18)22(27)16-28-19-4-5-20-17(15-19)3-6-21(20)26/h4-5,15,18H,2-3,6-14,16H2,1H3	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	4.90E+3	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