BDBM50378858 CHEMBL1289045

SMILES: COc1cc2CC3(C(CN(C)C33C(=O)Nc4ccccc34)c3ccc(F)cc3)C(=O)c2cc1OC

InChI Key: InChIKey=IQVIPHARSHGADA-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50378858   

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))	BDBM50378858 (CHEMBL1289045) Show SMILES COc1cc2CC3(C(CN(C)C33C(=O)Nc4ccccc34)c3ccc(F)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C28H25FN2O4/c1-31-15-21(16-8-10-18(29)11-9-16)27(28(31)20-6-4-5-7-22(20)30-26(28)33)14-17-12-23(34-2)24(35-3)13-19(17)25(27)32/h4-13,21H,14-15H2,1-3H3,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of human acetyl cholinesterase by Ellmann's method				Bioorg Med Chem Lett 20: 7064-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.108 BindingDB Entry DOI: 10.7270/Q2Q2417W
					More data for this Ligand-Target Pair