Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50333157'   

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 (Electrophorus electricus (Electric eel))	BDBM50333157 (5-Amino-2-chloro-4-phenyl-6,7,8,9-tetrahydrobenzo[...) Show SMILES Nc1c2CCCCc2nc2nc(Cl)c(C#N)c(-c3ccccc3)c12 Show InChI InChI=1S/C19H15ClN4/c20-18-13(10-21)15(11-6-2-1-3-7-11)16-17(22)12-8-4-5-9-14(12)23-19(16)24-18/h1-3,6-7H,4-5,8-9H2,(H2,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50333157 (5-Amino-2-chloro-4-phenyl-6,7,8,9-tetrahydrobenzo[...) Show SMILES Nc1c2CCCCc2nc2nc(Cl)c(C#N)c(-c3ccccc3)c12 Show InChI InChI=1S/C19H15ClN4/c20-18-13(10-21)15(11-6-2-1-3-7-11)16-17(22)12-8-4-5-9-14(12)23-19(16)24-18/h1-3,6-7H,4-5,8-9H2,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocytes AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair