null

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

InChI Key: InChIKey=PTXWLJMKMSWCDU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50290390   

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
Cholinesterase (Homo sapiens (Human))	BDBM50290390 (Butyl-carbamic acid 1-[(3-fluoro-pyridin-4-yl)-pro...) Show SMILES CCCCNC(=O)Oc1ccc2n(cc(C)c2c1)N(CCC)c1ccncc1F Show InChI InChI=1S/C22H27FN4O2/c1-4-6-10-25-22(28)29-17-7-8-20-18(13-17)16(3)15-27(20)26(12-5-2)21-9-11-24-14-19(21)23/h7-9,11,13-15H,4-6,10,12H2,1-3H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibition of human serum Butyrylcholinesterase using butyrylthiocholine as substrate; 0.69-1.2				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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50290390 (Butyl-carbamic acid 1-[(3-fluoro-pyridin-4-yl)-pro...) Show SMILES CCCCNC(=O)Oc1ccc2n(cc(C)c2c1)N(CCC)c1ccncc1F Show InChI InChI=1S/C22H27FN4O2/c1-4-6-10-25-22(28)29-17-7-8-20-18(13-17)16(3)15-27(20)26(12-5-2)21-9-11-24-14-19(21)23/h7-9,11,13-15H,4-6,10,12H2,1-3H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	4.00E+3	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; 3.3...				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