Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50197875'   

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))	BDBM50197875 (CHEMBL3910142) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-26-13-12-25-9-6-10-28(34)29(25)31-26)27(20-30)14-11-23-15-18-32(19-16-23)21-24-7-4-3-5-8-24/h1,3-10,12-13,23,27,34H,11,14-19,21-22H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 30 mins followed by subst...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50197875 (CHEMBL3910142) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-26-13-12-25-9-6-10-28(34)29(25)31-26)27(20-30)14-11-23-15-18-32(19-16-23)21-24-7-4-3-5-8-24/h1,3-10,12-13,23,27,34H,11,14-19,21-22H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Mixed-type inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 30 mins follow...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50197875 (CHEMBL3910142) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-26-13-12-25-9-6-10-28(34)29(25)31-26)27(20-30)14-11-23-15-18-32(19-16-23)21-24-7-4-3-5-8-24/h1,3-10,12-13,23,27,34H,11,14-19,21-22H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 30 mins followed by substrate addition and m...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111613 BindingDB Entry DOI: 10.7270/Q2GQ726C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50197875 (CHEMBL3910142) Show SMILES Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-26-13-12-25-9-6-10-28(34)29(25)31-26)27(20-30)14-11-23-15-18-32(19-16-23)21-24-7-4-3-5-8-24/h1,3-10,12-13,23,27,34H,11,14-19,21-22H2	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 30 mins followed by subst...				Eur J Med Chem 121: 864-879 (2016) Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T
					More data for this Ligand-Target Pair