BDBM50291927 (S)-7-Chloro-2-(2,2-dimethyl-propionyl)-3-methoxymethyl-5,5-dioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-en-8-one::CHEMBL131584

SMILES: COCC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)C(C)(C)C

InChI Key: InChIKey=RACBDMKWZNZANZ-KBPLZSHQSA-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 = 50291927   

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))	BDBM50291927 ((S)-7-Chloro-2-(2,2-dimethyl-propionyl)-3-methoxym...) Show SMILES COCC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)C(C)(C)C |t:3| Show InChI InChI=1S/C13H18ClNO5S/c1-13(2,3)10(16)9-7(5-20-4)6-21(18,19)12-8(14)11(17)15(9)12/h8,12H,5-6H2,1-4H3/t8-,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	1.5	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