BDBM50445695 CHEMBL3104446

SMILES: S=C1NC2C(CNC\C2=C/c2ccccc2)C(N1)c1ccccc1

InChI Key: InChIKey=NASWNKJUEZDISD-LFIBNONCSA-N

Data: 2 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 2 hits for monomerid = 50445695   

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))	BDBM50445695 (CHEMBL3104446) Show SMILES S=C1NC2C(CNC\C2=C/c2ccccc2)C(N1)c1ccccc1 Show InChI InChI=1S/C20H21N3S/c24-20-22-18(15-9-5-2-6-10-15)17-13-21-12-16(19(17)23-20)11-14-7-3-1-4-8-14/h1-11,17-19,21H,12-13H2,(H2,22,23,24)/b16-11+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50445695 (CHEMBL3104446) Show SMILES S=C1NC2C(CNC\C2=C/c2ccccc2)C(N1)c1ccccc1 Show InChI InChI=1S/C20H21N3S/c24-20-22-18(15-9-5-2-6-10-15)17-13-21-12-16(19(17)23-20)11-14-7-3-1-4-8-14/h1-11,17-19,21H,12-13H2,(H2,22,23,24)/b16-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addi...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair