BDBM50204833 CHEMBL3892502

SMILES: COc1cc2CC(CC3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)C(=O)c2cc1OC

InChI Key: InChIKey=SSYDSLPWPWZKOY-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 = 50204833   

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))	BDBM50204833 (CHEMBL3892502) Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C25H28F3NO3/c1-31-22-13-18-12-19(24(30)21(18)14-23(22)32-2)11-16-7-9-29(10-8-16)15-17-3-5-20(6-4-17)25(26,27)28/h3-6,13-14,16,19H,7-12,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...				Eur J Med Chem 123: 282-297 (2016) Article DOI: 10.1016/j.ejmech.2016.07.052 BindingDB Entry DOI: 10.7270/Q2ZW1NW5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50204833 (CHEMBL3892502) Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C25H28F3NO3/c1-31-22-13-18-12-19(24(30)21(18)14-23(22)32-2)11-16-7-9-29(10-8-16)15-17-3-5-20(6-4-17)25(26,27)28/h3-6,13-14,16,19H,7-12,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...				Eur J Med Chem 123: 282-297 (2016) Article DOI: 10.1016/j.ejmech.2016.07.052 BindingDB Entry DOI: 10.7270/Q2ZW1NW5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50204833 (CHEMBL3892502) Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C25H28F3NO3/c1-31-22-13-18-12-19(24(30)21(18)14-23(22)32-2)11-16-7-9-29(10-8-16)15-17-3-5-20(6-4-17)25(26,27)28/h3-6,13-14,16,19H,7-12,15H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...				Eur J Med Chem 123: 282-297 (2016) Article DOI: 10.1016/j.ejmech.2016.07.052 BindingDB Entry DOI: 10.7270/Q2ZW1NW5
					More data for this Ligand-Target Pair