BDBM50262455 11-Amino-12-(4-fluoro-phenyl)-3,3-dimethyl-2,3,4,7,8,9,10,12-octahydro-5-oxa-6-aza-naphthacen-1-one::CHEMBL514858

SMILES: CC1(C)CC(=O)C2=C(C1)Oc1nc3CCCCc3c(N)c1C2c1ccc(F)cc1

InChI Key: InChIKey=SYLIQOKJWDYHQG-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 = 50262455   

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))	BDBM50262455 (11-Amino-12-(4-fluoro-phenyl)-3,3-dimethyl-2,3,4,7...) Show SMILES CC1(C)CC(=O)C2=C(C1)Oc1nc3CCCCc3c(N)c1C2c1ccc(F)cc1 |c:6| Show InChI InChI=1S/C24H25FN2O2/c1-24(2)11-17(28)20-18(12-24)29-23-21(19(20)13-7-9-14(25)10-8-13)22(26)15-5-3-4-6-16(15)27-23/h7-10,19H,3-6,11-12H2,1-2H3,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by spectrophotometry				Bioorg Med Chem 16: 7759-69 (2008) Article DOI: 10.1016/j.bmc.2008.07.005 BindingDB Entry DOI: 10.7270/Q2DZ096D
					More data for this Ligand-Target Pair