BDBM50361453 CHEMBL1938460

SMILES: Clc1ccc2N(NC(=O)CN3CCCC3)c3ccccc3Sc2c1

InChI Key: InChIKey=LLYYMSFSWPNTPP-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 = 50361453   

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 (Bos taurus (bovine))	BDBM50361453 (CHEMBL1938460) Show SMILES Clc1ccc2N(NC(=O)CN3CCCC3)c3ccccc3Sc2c1 Show InChI InChI=1S/C18H18ClN3OS/c19-13-7-8-15-17(11-13)24-16-6-2-1-5-14(16)22(15)20-18(23)12-21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12H2,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Inhibition of AChE in bovine erythrocytes using acetylthiocholine as substrate by Ellman method				Eur J Med Chem 46: 2224-35 (2011) Article DOI: 10.1016/j.ejmech.2011.03.003 BindingDB Entry DOI: 10.7270/Q2X34XWC
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50361453 (CHEMBL1938460) Show SMILES Clc1ccc2N(NC(=O)CN3CCCC3)c3ccccc3Sc2c1 Show InChI InChI=1S/C18H18ClN3OS/c19-13-7-8-15-17(11-13)24-16-6-2-1-5-14(16)22(15)20-18(23)12-21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12H2,(H,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Inhibition of BuChE in horse serum using butyrylthiocholine as substrate by Ellman method				Eur J Med Chem 46: 2224-35 (2011) Article DOI: 10.1016/j.ejmech.2011.03.003 BindingDB Entry DOI: 10.7270/Q2X34XWC
					More data for this Ligand-Target Pair