BDBM50079213 CHEMBL3416662

SMILES: CCN(CC)C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN2CCCCC2)cc1

InChI Key: InChIKey=UZWFCWJJWBZPHJ-BWAHOGKJSA-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 = 50079213   

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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50079213 (CHEMBL3416662) Show SMILES CCN(CC)C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H32N2O5/c1-3-29(4-2)27(31)33-22-12-13-23-24(19-22)34-25(26(23)30)18-20-8-10-21(11-9-20)32-17-16-28-14-6-5-7-15-28/h8-13,18-19H,3-7,14-17H2,1-2H3/b25-18-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.17E+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 butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...				Eur J Med Chem 94: 195-210 (2015) Article DOI: 10.1016/j.ejmech.2015.02.055 BindingDB Entry DOI: 10.7270/Q2959K85
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50079213 (CHEMBL3416662) Show SMILES CCN(CC)C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H32N2O5/c1-3-29(4-2)27(31)33-22-12-13-23-24(19-22)34-25(26(23)30)18-20-8-10-21(11-9-20)32-17-16-28-14-6-5-7-15-28/h8-13,18-19H,3-7,14-17H2,1-2H3/b25-18-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	652	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE incubated for 15 mins using acetylcholine iodide substrate by colorimetric Ellman's method				Eur J Med Chem 94: 195-210 (2015) Article DOI: 10.1016/j.ejmech.2015.02.055 BindingDB Entry DOI: 10.7270/Q2959K85
					More data for this Ligand-Target Pair