Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50467881'   

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)	BDBM50467881 (CHEMBL4288000) Show SMILES CN1CCN(CCCNC(=O)COc2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C22H29N3O2/c1-24-14-16-25(17-15-24)13-5-12-23-22(26)18-27-21-10-8-20(9-11-21)19-6-3-2-4-7-19/h2-4,6-11H,5,12-18H2,1H3,(H,23,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	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)	BDBM50467881 (CHEMBL4288000) Show SMILES CN1CCN(CCCNC(=O)COc2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C22H29N3O2/c1-24-14-16-25(17-15-24)13-5-12-23-22(26)18-27-21-10-8-20(9-11-21)19-6-3-2-4-7-19/h2-4,6-11H,5,12-18H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	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)	BDBM50467881 (CHEMBL4288000) Show SMILES CN1CCN(CCCNC(=O)COc2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C22H29N3O2/c1-24-14-16-25(17-15-24)13-5-12-23-22(26)18-27-21-10-8-20(9-11-21)19-6-3-2-4-7-19/h2-4,6-11H,5,12-18H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+4	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))	BDBM50467881 (CHEMBL4288000) Show SMILES CN1CCN(CCCNC(=O)COc2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C22H29N3O2/c1-24-14-16-25(17-15-24)13-5-12-23-22(26)18-27-21-10-8-20(9-11-21)19-6-3-2-4-7-19/h2-4,6-11H,5,12-18H2,1H3,(H,23,26)	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	1.15E+5	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