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SMILES: Cn1nc(C#N)c2c(N)c3CCCCc3nc12

InChI Key: InChIKey=CGKXGJMAXAJZKA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50384795   

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 (Equus caballus (Horse))	BDBM50384795 (CHEMBL2037381) Show SMILES Cn1nc(C#N)c2c(N)c3CCCCc3nc12 Show InChI InChI=1S/C12H13N5/c1-17-12-10(9(6-13)16-17)11(14)7-4-2-3-5-8(7)15-12/h2-5H2,1H3,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of Equus caballus BChE preincubated for 10 mins measured after 15 mins by Ellman's method				Eur J Med Chem 46: 4676-81 (2011) Article DOI: 10.1016/j.ejmech.2011.05.068 BindingDB Entry DOI: 10.7270/Q24T6KDT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50384795 (CHEMBL2037381) Show SMILES Cn1nc(C#N)c2c(N)c3CCCCc3nc12 Show InChI InChI=1S/C12H13N5/c1-17-12-10(9(6-13)16-17)11(14)7-4-2-3-5-8(7)15-12/h2-5H2,1H3,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 10 mins measured after 15 mins by Ellman's method				Eur J Med Chem 46: 4676-81 (2011) Article DOI: 10.1016/j.ejmech.2011.05.068 BindingDB Entry DOI: 10.7270/Q24T6KDT
					More data for this Ligand-Target Pair