BDBM50445692 CHEMBL3104449

SMILES: Cc1ccc(\C=C2/CNCC3C2NC(=S)NC3c2ccc(C)cc2)cc1

InChI Key: InChIKey=YQCQZYAJJOSYON-WOJGMQOQSA-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 = 50445692   

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 (Electrophorus electricus (Electric eel))	BDBM50445692 (CHEMBL3104449) Show SMILES Cc1ccc(\C=C2/CNCC3C2NC(=S)NC3c2ccc(C)cc2)cc1 Show InChI InChI=1S/C22H25N3S/c1-14-3-7-16(8-4-14)11-18-12-23-13-19-20(24-22(26)25-21(18)19)17-9-5-15(2)6-10-17/h3-11,19-21,23H,12-13H2,1-2H3,(H2,24,25,26)/b18-11+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.75E+4	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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50445692 (CHEMBL3104449) Show SMILES Cc1ccc(\C=C2/CNCC3C2NC(=S)NC3c2ccc(C)cc2)cc1 Show InChI InChI=1S/C22H25N3S/c1-14-3-7-16(8-4-14)11-18-12-23-13-19-20(24-22(26)25-21(18)19)17-9-5-15(2)6-10-17/h3-11,19-21,23H,12-13H2,1-2H3,(H2,24,25,26)/b18-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.27E+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