BDBM50252255 CHEMBL1416246

SMILES: Clc1cccc(NC(=S)NCCN2CCOCC2)c1

InChI Key: InChIKey=WWMQKYLDVZTOBE-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 = 50252255   

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 (Homo sapiens (Human))	BDBM50252255 (CHEMBL1416246) Show SMILES Clc1cccc(NC(=S)NCCN2CCOCC2)c1 Show InChI InChI=1S/C13H18ClN3OS/c14-11-2-1-3-12(10-11)16-13(19)15-4-5-17-6-8-18-9-7-17/h1-3,10H,4-9H2,(H2,15,16,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293F cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method				Eur J Med Chem 134: 415-427 (2017) Article DOI: 10.1016/j.ejmech.2017.03.050 BindingDB Entry DOI: 10.7270/Q23X893Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50252255 (CHEMBL1416246) Show SMILES Clc1cccc(NC(=S)NCCN2CCOCC2)c1 Show InChI InChI=1S/C13H18ClN3OS/c14-11-2-1-3-12(10-11)16-13(19)15-4-5-17-6-8-18-9-7-17/h1-3,10H,4-9H2,(H2,15,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of AChE1 in Anopheles gambiae body extract using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method				Eur J Med Chem 134: 415-427 (2017) Article DOI: 10.1016/j.ejmech.2017.03.050 BindingDB Entry DOI: 10.7270/Q23X893Z
					More data for this Ligand-Target Pair