BDBM50290393 CHEMBL42667::Heptyl-carbamic acid 1-[(3-fluoro-pyridin-4-yl)-propyl-amino]-3-methyl-1H-indol-5-yl ester

SMILES: CCCCCCCNC(=O)Oc1ccc2n(cc(C)c2c1)N(CCC)c1ccncc1F

InChI Key: InChIKey=PEQCQYWCZXAUJF-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 = 50290393   

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 (Rattus norvegicus (rat))	BDBM50290393 (CHEMBL42667 | Heptyl-carbamic acid 1-[(3-fluoro-py...) Show SMILES CCCCCCCNC(=O)Oc1ccc2n(cc(C)c2c1)N(CCC)c1ccncc1F Show InChI InChI=1S/C25H33FN4O2/c1-4-6-7-8-9-13-28-25(31)32-20-10-11-23-21(16-20)19(3)18-30(23)29(15-5-2)24-12-14-27-17-22(24)26/h10-12,14,16-18H,4-9,13,15H2,1-3H3,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro in rats for the inhibition of brain (striatal) acetylcholinesterase (AChEI) using acetylthiocholine as substrate; 21-...				Bioorg Med Chem Lett 7: 157-162 (1997) Article DOI: 10.1016/S0960-894X(96)00592-6 BindingDB Entry DOI: 10.7270/Q2CC10P5
					More data for this Ligand-Target Pair