BDBM50422386 CHEMBL4169820

SMILES: [Cl-].Cc1cccc(C[n+]2cccc(Cn3c4CCCCc4c4ccccc34)c2)c1

InChI Key: InChIKey=NFJQBUGSZFHLLW-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 = 50422386   

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 (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50422386 (CHEMBL4169820) Show SMILES [Cl-].Cc1cccc(C[n+]2cccc(Cn3c4CCCCc4c4ccccc34)c2)c1 Show InChI InChI=1S/C52H78N4O2/c1-4-5-6-7-8-12-21-36-56(44-50-30-15-17-32-52(50)58-3)37-22-13-11-20-34-54-42-48-28-24-26-46(40-48)38-45-25-23-27-47(39-45)41-53-33-18-9-10-19-35-55-43-49-29-14-16-31-51(49)57-2/h14-17,23-32,39-40,53-55H,4-13,18-22,33-38,41-44H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured f...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50422386 (CHEMBL4169820) Show SMILES [Cl-].Cc1cccc(C[n+]2cccc(Cn3c4CCCCc4c4ccccc34)c2)c1 Show InChI InChI=1S/C52H78N4O2/c1-4-5-6-7-8-12-21-36-56(44-50-30-15-17-32-52(50)58-3)37-22-13-11-20-34-54-42-48-28-24-26-46(40-48)38-45-25-23-27-47(39-45)41-53-33-18-9-10-19-35-55-43-49-29-14-16-31-51(49)57-2/h14-17,23-32,39-40,53-55H,4-13,18-22,33-38,41-44H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	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 BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair