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SMILES: COc1ccc2C(=O)C(CC3C=CN(Cc4ccccc4F)C=C3C(C)=O)CCc2c1

InChI Key: InChIKey=CNAHKYGTLNXQEV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50291625   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291625 (CHEMBL4166141) Show SMILES COc1ccc2C(=O)C(CC3C=CN(Cc4ccccc4F)C=C3C(C)=O)CCc2c1 |c:11,23| Show InChI InChI=1S/C26H26FNO3/c1-17(29)24-16-28(15-21-5-3-4-6-25(21)27)12-11-19(24)13-20-8-7-18-14-22(31-2)9-10-23(18)26(20)30/h3-6,9-12,14,16,19-20H,7-8,13,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50291625 (CHEMBL4166141) Show SMILES COc1ccc2C(=O)C(CC3C=CN(Cc4ccccc4F)C=C3C(C)=O)CCc2c1 |c:11,23| Show InChI InChI=1S/C26H26FNO3/c1-17(29)24-16-28(15-21-5-3-4-6-25(21)27)12-11-19(24)13-20-8-7-18-14-22(31-2)9-10-23(18)26(20)30/h3-6,9-12,14,16,19-20H,7-8,13,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every mi...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair