Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50117580'   

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))	BDBM50117580 (1-Benzyl-1-methyl-4-[3-oxo-3-(2,3,4,5-tetrahydro-1...) Show SMILES C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3CCCCNc3c2)CC1 |(5.9,-6.04,;5.9,-4.5,;4.57,-5.27,;3.23,-4.5,;1.9,-5.27,;.57,-4.5,;.57,-2.95,;1.9,-2.18,;3.23,-2.95,;5.9,-2.95,;7.23,-2.18,;8.57,-2.95,;9.92,-2.18,;11.25,-2.95,;12.59,-2.18,;12.59,-.64,;13.92,-2.95,;15.25,-2.18,;16.59,-2.95,;16.59,-4.5,;18.04,-5.08,;18.48,-6.55,;17.61,-7.82,;16.09,-7.91,;15.02,-6.81,;15.25,-5.27,;13.92,-4.5,;8.57,-4.5,;7.23,-5.27,)| Show InChI InChI=1S/C26H35N2O/c1-28(20-22-7-3-2-4-8-22)17-14-21(15-18-28)10-13-26(29)24-12-11-23-9-5-6-16-27-25(23)19-24/h2-4,7-8,11-12,19,21,27H,5-6,9-10,13-18,20H2,1H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant AChE.				Bioorg Med Chem Lett 12: 2565-8 (2002) BindingDB Entry DOI: 10.7270/Q2CZ37Q4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50117580 (1-Benzyl-1-methyl-4-[3-oxo-3-(2,3,4,5-tetrahydro-1...) Show SMILES C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3CCCCNc3c2)CC1 |(5.9,-6.04,;5.9,-4.5,;4.57,-5.27,;3.23,-4.5,;1.9,-5.27,;.57,-4.5,;.57,-2.95,;1.9,-2.18,;3.23,-2.95,;5.9,-2.95,;7.23,-2.18,;8.57,-2.95,;9.92,-2.18,;11.25,-2.95,;12.59,-2.18,;12.59,-.64,;13.92,-2.95,;15.25,-2.18,;16.59,-2.95,;16.59,-4.5,;18.04,-5.08,;18.48,-6.55,;17.61,-7.82,;16.09,-7.91,;15.02,-6.81,;15.25,-5.27,;13.92,-4.5,;8.57,-4.5,;7.23,-5.27,)| Show InChI InChI=1S/C26H35N2O/c1-28(20-22-7-3-2-4-8-22)17-14-21(15-18-28)10-13-26(29)24-12-11-23-9-5-6-16-27-25(23)19-24/h2-4,7-8,11-12,19,21,27H,5-6,9-10,13-18,20H2,1H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	331	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.				Bioorg Med Chem Lett 12: 2565-8 (2002) BindingDB Entry DOI: 10.7270/Q2CZ37Q4
					More data for this Ligand-Target Pair