BDBM50084229 2-Diethylamino-5-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d][1,3]oxazin-4-one::CHEMBL151182

SMILES: CCN(CC)c1nc2sc3CCCC(C)c3c2c(=O)o1

InChI Key: InChIKey=PDAZSKBXBXBMBZ-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50084229   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50084229 (2-Diethylamino-5-methyl-5,6,7,8-tetrahydro-benzo[4...) Show SMILES CCN(CC)c1nc2sc3CCCC(C)c3c2c(=O)o1 Show InChI InChI=1S/C15H20N2O2S/c1-4-17(5-2)15-16-13-12(14(18)19-15)11-9(3)7-6-8-10(11)20-13/h9H,4-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against human leukocyte elastase				J Med Chem 42: 5437-47 (2000) BindingDB Entry DOI: 10.7270/Q2K936RG
					More data for this Ligand-Target Pair
Cholesterol esterase (Bos taurus)	BDBM50084229 (2-Diethylamino-5-methyl-5,6,7,8-tetrahydro-benzo[4...) Show SMILES CCN(CC)c1nc2sc3CCCC(C)c3c2c(=O)o1 Show InChI InChI=1S/C15H20N2O2S/c1-4-17(5-2)15-16-13-12(14(18)19-15)11-9(3)7-6-8-10(11)20-13/h9H,4-8H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.64E+3	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))	BDBM50084229 (2-Diethylamino-5-methyl-5,6,7,8-tetrahydro-benzo[4...) Show SMILES CCN(CC)c1nc2sc3CCCC(C)c3c2c(=O)o1 Show InChI InChI=1S/C15H20N2O2S/c1-4-17(5-2)15-16-13-12(14(18)19-15)11-9(3)7-6-8-10(11)20-13/h9H,4-8H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	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