BDBM50445701 CHEMBL3104331

SMILES: COc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C/c3ccccc3)C(N12)c1ccccc1

InChI Key: InChIKey=LESNVGHCGIMYEU-XQNSMLJCSA-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 = 50445701   

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))	BDBM50445701 (CHEMBL3104331) Show SMILES COc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C/c3ccccc3)C(N12)c1ccccc1 |t:9,12,14| Show InChI InChI=1S/C29H25N3OS/c1-33-24-14-12-21(13-15-24)26-19-34-29-31-27-23(16-20-8-4-2-5-9-20)17-30-18-25(27)28(32(26)29)22-10-6-3-7-11-22/h2-16,19,28,30H,17-18H2,1H3/b23-16+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+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))	BDBM50445701 (CHEMBL3104331) Show SMILES COc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C/c3ccccc3)C(N12)c1ccccc1 |t:9,12,14| Show InChI InChI=1S/C29H25N3OS/c1-33-24-14-12-21(13-15-24)26-19-34-29-31-27-23(16-20-8-4-2-5-9-20)17-30-18-25(27)28(32(26)29)22-10-6-3-7-11-22/h2-16,19,28,30H,17-18H2,1H3/b23-16+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	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