BDBM50361461 CHEMBL1938452

SMILES: CN(C)CC(=O)NN1c2ccccc2Sc2ccc(Cl)cc12

InChI Key: InChIKey=QZEILJFOMBSNNN-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 = 50361461   

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))	BDBM50361461 (CHEMBL1938452) Show SMILES CN(C)CC(=O)NN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C16H16ClN3OS/c1-19(2)10-16(21)18-20-12-5-3-4-6-14(12)22-15-8-7-11(17)9-13(15)20/h3-9H,10H2,1-2H3,(H,18,21)	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))	BDBM50361461 (CHEMBL1938452) Show SMILES CN(C)CC(=O)NN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C16H16ClN3OS/c1-19(2)10-16(21)18-20-12-5-3-4-6-14(12)22-15-8-7-11(17)9-13(15)20/h3-9H,10H2,1-2H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+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