BDBM50457030 CHEMBL4206121

SMILES: Nc1c2C(c3cccc(O)c3)n3n(-c2nc2CCCCc12)c(=O)c1ccccc1c3=O

InChI Key: InChIKey=WHAINPZSBJNYNQ-UHFFFAOYSA-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 = 50457030   

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))	BDBM50457030 (CHEMBL4206121) Show SMILES Nc1c2C(c3cccc(O)c3)n3n(-c2nc2CCCCc12)c(=O)c1ccccc1c3=O Show InChI InChI=1S/C24H20N4O3/c25-20-17-10-3-4-11-18(17)26-22-19(20)21(13-6-5-7-14(29)12-13)27-23(30)15-8-1-2-9-16(15)24(31)28(22)27/h1-2,5-9,12,21,29H,3-4,10-11H2,(H2,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50457030 (CHEMBL4206121) Show SMILES Nc1c2C(c3cccc(O)c3)n3n(-c2nc2CCCCc12)c(=O)c1ccccc1c3=O Show InChI InChI=1S/C24H20N4O3/c25-20-17-10-3-4-11-18(17)26-22-19(20)21(13-6-5-7-14(29)12-13)27-23(30)15-8-1-2-9-16(15)24(31)28(22)27/h1-2,5-9,12,21,29H,3-4,10-11H2,(H2,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 ...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair