BDBM50194796 CHEMBL3941365

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

InChI Key: InChIKey=KPTRIEXMOQLDNE-JKSUJKDBSA-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 = 50194796   

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))	BDBM50194796 (CHEMBL3941365) Show SMILES [H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCC#N)c3[C@]([H])(CC(C)=C1)C2 |r,c:27,TLB:12:20:27:26.24.23,25:24:20.3.2:27| Show InChI InChI=1S/C22H24ClN3/c1-14-9-15-11-16(10-14)21-20(12-15)26-19-13-17(23)5-6-18(19)22(21)25-8-4-2-3-7-24/h5-6,9,13,15-16H,2-4,8,10-12H2,1H3,(H,25,26)/t15-,16+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	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