BDBM50361457 CHEMBL1938456

SMILES: Clc1ccc2Sc3ccccc3N(NC(=O)CN3CCCCC3)c2c1

InChI Key: InChIKey=JQQPIOIJGXIPLF-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 = 50361457   

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))	BDBM50361457 (CHEMBL1938456) Show SMILES Clc1ccc2Sc3ccccc3N(NC(=O)CN3CCCCC3)c2c1 Show InChI InChI=1S/C19H20ClN3OS/c20-14-8-9-18-16(12-14)23(15-6-2-3-7-17(15)25-18)21-19(24)13-22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2,(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))	BDBM50361457 (CHEMBL1938456) Show SMILES Clc1ccc2Sc3ccccc3N(NC(=O)CN3CCCCC3)c2c1 Show InChI InChI=1S/C19H20ClN3OS/c20-14-8-9-18-16(12-14)23(15-6-2-3-7-17(15)25-18)21-19(24)13-22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,21,24)	PDB UniProtKB/SwissProt 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 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