BDBM50281029 (2S,5R,6R)-3,3-Dimethyl-6-[methyl-(2,2,2-trifluoro-acetyl)-amino]-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester::CHEMBL72774

SMILES: CN([C@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O)C(=O)C(F)(F)F

InChI Key: InChIKey=CDMMYFXWUKDJJX-MBNYWOFBSA-N

Data: 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 1 hit for monomerid = 50281029   

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))	BDBM50281029 ((2S,5R,6R)-3,3-Dimethyl-6-[methyl-(2,2,2-trifluoro...) Show SMILES CN([C@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C18H19F3N2O6S/c1-17(2)12(15(25)29-9-10-7-5-4-6-8-10)23-13(24)11(14(23)30(17,27)28)22(3)16(26)18(19,20)21/h4-8,11-12,14H,9H2,1-3H3/t11-,12+,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...				Bioorg Med Chem Lett 3: 2283-2288 (1993) Article DOI: 10.1016/S0960-894X(01)80940-9 BindingDB Entry DOI: 10.7270/Q2S46RW5
					More data for this Ligand-Target Pair