BDBM50500464 CHEMBL3745983

SMILES: Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NC1CCCCC1

InChI Key: InChIKey=PHJCDRRQJGMVBB-UHFFFAOYSA-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 = 50500464   

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))	BDBM50500464 (CHEMBL3745983) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NC1CCCCC1 Show InChI InChI=1S/C20H20N2O4/c1-11-9-17(23)26-18-13(11)7-8-16-14(18)10-15(19(21)25-16)20(24)22-12-5-3-2-4-6-12/h7-10,12,21H,2-6H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500464 (CHEMBL3745983) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NC1CCCCC1 Show InChI InChI=1S/C20H20N2O4/c1-11-9-17(23)26-18-13(11)7-8-16-14(18)10-15(19(21)25-16)20(24)22-12-5-3-2-4-6-12/h7-10,12,21H,2-6H2,1H3,(H,22,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair