BDBM50291926 Acetic acid (S)-7-chloro-5,5,8-trioxo-2-propionyl-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-en-3-ylmethyl ester::CHEMBL131486

SMILES: CCC(=O)C1=C(COC(C)=O)CS(=O)(=O)C2[C@@H](Cl)C(=O)N12

InChI Key: InChIKey=WGAJEQINWUJXSX-QHGLUPRGSA-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 = 50291926   

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))	BDBM50291926 (Acetic acid (S)-7-chloro-5,5,8-trioxo-2-propionyl-...) Show SMILES CCC(=O)C1=C(COC(C)=O)CS(=O)(=O)C2[C@@H](Cl)C(=O)N12 |c:4| Show InChI InChI=1S/C12H14ClNO6S/c1-3-8(16)10-7(4-20-6(2)15)5-21(18,19)12-9(13)11(17)14(10)12/h9,12H,3-5H2,1-2H3/t9-,12?/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	7.30	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