BDBM50193130 CHEMBL3908209

SMILES: CCOC(=O)c1cnc2ccc(F)cc2c1N1CCN(CC1)c1cc(C)nc2ncnn12

InChI Key: InChIKey=NHUYKRWOSFLPHU-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50193130   

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 (Electrophorus electricus (Electric eel))	BDBM50193130 (CHEMBL3908209) Show SMILES CCOC(=O)c1cnc2ccc(F)cc2c1N1CCN(CC1)c1cc(C)nc2ncnn12 Show InChI InChI=1S/C22H22FN7O2/c1-3-32-21(31)17-12-24-18-5-4-15(23)11-16(18)20(17)29-8-6-28(7-9-29)19-10-14(2)27-22-25-13-26-30(19)22/h4-5,10-13H,3,6-9H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 5 mins followed by addition of acetylthiocholine iodide as substrate measured after 2 mins by Ellman...				Eur J Med Chem 119: 260-77 (2016) Article DOI: 10.1016/j.ejmech.2016.04.053 BindingDB Entry DOI: 10.7270/Q2319XT7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50193130 (CHEMBL3908209) Show SMILES CCOC(=O)c1cnc2ccc(F)cc2c1N1CCN(CC1)c1cc(C)nc2ncnn12 Show InChI InChI=1S/C22H22FN7O2/c1-3-32-21(31)17-12-24-18-5-4-15(23)11-16(18)20(17)29-8-6-28(7-9-29)19-10-14(2)27-22-25-13-26-30(19)22/h4-5,10-13H,3,6-9H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Eur J Med Chem 165: 332-346 (2019) Article DOI: 10.1016/j.ejmech.2019.01.027
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50193130 (CHEMBL3908209) Show SMILES CCOC(=O)c1cnc2ccc(F)cc2c1N1CCN(CC1)c1cc(C)nc2ncnn12 Show InChI InChI=1S/C22H22FN7O2/c1-3-32-21(31)17-12-24-18-5-4-15(23)11-16(18)20(17)29-8-6-28(7-9-29)19-10-14(2)27-22-25-13-26-30(19)22/h4-5,10-13H,3,6-9H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE preincubated for 5 mins followed by addition of butyrylthiocholine iodide as substrate measured after 2 mins by Ellm...				Eur J Med Chem 119: 260-77 (2016) Article DOI: 10.1016/j.ejmech.2016.04.053 BindingDB Entry DOI: 10.7270/Q2319XT7
					More data for this Ligand-Target Pair