BDBM50291945 (S)-2-Benzoyl-7-chloro-3-methyl-5,5-dioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-en-8-one::CHEMBL127439

SMILES: CC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)c1ccccc1

InChI Key: InChIKey=GGIMLXUPWQXKRC-XLLULAGJSA-N

Data: 1 K_on

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 = 50291945   

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))	BDBM50291945 ((S)-2-Benzoyl-7-chloro-3-methyl-5,5-dioxo-5lambda*...) Show SMILES CC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)c1ccccc1 |t:1| Show InChI InChI=1S/C14H12ClNO4S/c1-8-7-21(19,20)14-10(15)13(18)16(14)11(8)12(17)9-5-3-2-4-6-9/h2-6,10,14H,7H2,1H3/t10-,14?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	n/a	n/a	8	n/a	n/a
Pharmacia Farmitalia Carlo Erba Curated by ChEMBL					Assay Description Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation				J Med Chem 37: 4003-19 (1994) BindingDB Entry DOI: 10.7270/Q2T43S5B
					More data for this Ligand-Target Pair