BDBM50445721 CHEMBL3104450

SMILES: Clc1ccc(\C=C2/CNCC3C2NC(=S)NC3c2ccc(Cl)cc2)cc1

InChI Key: InChIKey=PZPVJFQTDWDACU-NTEUORMPSA-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 = 50445721   

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
Cholinesterase (Equus caballus (Horse))	BDBM50445721 (CHEMBL3104450) Show SMILES Clc1ccc(\C=C2/CNCC3C2NC(=S)NC3c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H19Cl2N3S/c21-15-5-1-12(2-6-15)9-14-10-23-11-17-18(24-20(26)25-19(14)17)13-3-7-16(22)8-4-13/h1-9,17-19,23H,10-11H2,(H2,24,25,26)/b14-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addi...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50445721 (CHEMBL3104450) Show SMILES Clc1ccc(\C=C2/CNCC3C2NC(=S)NC3c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H19Cl2N3S/c21-15-5-1-12(2-6-15)9-14-10-23-11-17-18(24-20(26)25-19(14)17)13-3-7-16(22)8-4-13/h1-9,17-19,23H,10-11H2,(H2,24,25,26)/b14-9+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair