BDBM50161792 CHEMBL3786205

SMILES: COc1cccc(\C=C2/CC(C)C\C(=C/c3cccc(OC)c3Cl)C2=O)c1Cl

InChI Key: InChIKey=SQYVMMZDPPVSLB-PWDIZTEBSA-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 = 50161792   

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))	BDBM50161792 (CHEMBL3786205) Show SMILES COc1cccc(\C=C2/CC(C)C\C(=C/c3cccc(OC)c3Cl)C2=O)c1Cl Show InChI InChI=1S/C23H22Cl2O3/c1-14-10-17(12-15-6-4-8-19(27-2)21(15)24)23(26)18(11-14)13-16-7-5-9-20(28-3)22(16)25/h4-9,12-14H,10-11H2,1-3H3/b17-12+,18-13+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 10 mi...				Bioorg Med Chem 24: 2352-9 (2016) BindingDB Entry DOI: 10.7270/Q2S46TVJ
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50161792 (CHEMBL3786205) Show SMILES COc1cccc(\C=C2/CC(C)C\C(=C/c3cccc(OC)c3Cl)C2=O)c1Cl Show InChI InChI=1S/C23H22Cl2O3/c1-14-10-17(12-15-6-4-8-19(27-2)21(15)24)23(26)18(11-14)13-16-7-5-9-20(28-3)22(16)25/h4-9,12-14H,10-11H2,1-3H3/b17-12+,18-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 10 min...				Bioorg Med Chem 24: 2352-9 (2016) BindingDB Entry DOI: 10.7270/Q2S46TVJ
					More data for this Ligand-Target Pair