BDBM50179315 7-benzyl-2-diethylamino-5,6,7,8-tetrahydro-4H-pyrido[4',3':4,5]thieno[2,3-d][1,3]oxazin-4-one::CHEMBL8523

SMILES: CCN(CC)c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)o1

InChI Key: InChIKey=YZLZJIGRDKNKGZ-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50179315   

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
Cholesterol esterase (Bos taurus)	BDBM50179315 (7-benzyl-2-diethylamino-5,6,7,8-tetrahydro-4H-pyri...) Show SMILES CCN(CC)c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)o1 Show InChI InChI=1S/C20H23N3O2S/c1-3-23(4-2)20-21-18-17(19(24)25-20)15-10-11-22(13-16(15)26-18)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic CEase in presence of pNPB chromogenic substrate by spectrophotometry				J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50179315 (7-benzyl-2-diethylamino-5,6,7,8-tetrahydro-4H-pyri...) Show SMILES CCN(CC)c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)o1 Show InChI InChI=1S/C20H23N3O2S/c1-3-23(4-2)20-21-18-17(19(24)25-20)15-10-11-22(13-16(15)26-18)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory activity AChE from Electrophorus electricus using ATCh substrate and DTNB by spectrophotometry				J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4
					More data for this Ligand-Target Pair