BindingDB logo
myBDB logout

BDBM50281039 (2S,5S,6S)-6-Acetoxy-3,3-dimethyl-4,7-dioxo-4lambda*4*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester::CHEMBL307225

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

InChI Key: InChIKey=GJWYCXZNJCDYTB-DUVHNZQKSA-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 = 50281039   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))
BDBM50281039
PNG
((2S,5S,6S)-6-Acetoxy-3,3-dimethyl-4,7-dioxo-4lambd...)
Show SMILES CC(=O)O[C@@H]1[C@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2=O)C1=O
Show InChI InChI=1S/C17H19NO6S/c1-10(19)24-12-14(20)18-13(17(2,3)25(22)15(12)18)16(21)23-9-11-7-5-4-6-8-11/h4-8,12-13,15H,9H2,1-3H3/t12-,13-,15-,25?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 5.00E+3n/an/an/an/an/an/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