BDBM234270 4-oxo-β-lactam (3)

SMILES: CCC1(CC)C(=O)N(C1=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1

InChI Key: InChIKey=KDYDIDDYWKCQJA-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 234270   

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))	BDBM234270 (4-oxo-β-lactam (3)) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C20H21NO4S/c1-3-20(4-2)18(22)21(19(20)23)16-12-10-15(11-13-16)14-26(24,25)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.630	-12.5	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Lisbon					Assay Description The inhibition of the HLE was studied at 25°C by continuously monitoring the absorbance at 410 nm for 20 min of a solution prepared by mixing 10 _...				J Enzyme Inhib Med Chem 26: 169-75 (2011) Article DOI: 10.3109/14756366.2010.486794 BindingDB Entry DOI: 10.7270/Q2B56HM0
					More data for this Ligand-Target Pair