BDBM50361458 CHEMBL1938455

SMILES: Clc1cccc2Sc3ccccc3N(NC(=O)CN3CCCCC3)c12

InChI Key: InChIKey=KBZSFWLURQFJSH-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 = 50361458   

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))	BDBM50361458 (CHEMBL1938455) Show SMILES Clc1cccc2Sc3ccccc3N(NC(=O)CN3CCCCC3)c12 Show InChI InChI=1S/C19H20ClN3OS/c20-14-7-6-10-17-19(14)23(15-8-2-3-9-16(15)25-17)21-18(24)13-22-11-4-1-5-12-22/h2-3,6-10H,1,4-5,11-13H2,(H,21,24)	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))	BDBM50361458 (CHEMBL1938455) Show SMILES Clc1cccc2Sc3ccccc3N(NC(=O)CN3CCCCC3)c12 Show InChI InChI=1S/C19H20ClN3OS/c20-14-7-6-10-17-19(14)23(15-8-2-3-9-16(15)25-17)21-18(24)13-22-11-4-1-5-12-22/h2-3,6-10H,1,4-5,11-13H2,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+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