BDBM50194806 CHEMBL3937637

SMILES: [H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCCN)c3[C@]([H])(CC(C)=C1)C2

InChI Key: InChIKey=XNJOICNXXFHKKE-RBUKOAKNSA-N

Data: 1 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 1 hit for monomerid = 50194806   

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))	BDBM50194806 (CHEMBL3937637) Show SMILES [H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCCN)c3[C@]([H])(CC(C)=C1)C2 |r,c:30,TLB:12:23:30:29.27.26,28:27:23.3.2:30| Show InChI InChI=1S/C25H34ClN3/c1-17-12-18-14-19(13-17)24-23(15-18)29-22-16-20(26)8-9-21(22)25(24)28-11-7-5-3-2-4-6-10-27/h8-9,12,16,18-19H,2-7,10-11,13-15,27H2,1H3,(H,28,29)/t18-,19+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair