BindingDB logo
myBDB logout

BDBM50384113 CHEMBL2029558

SMILES: COc1ccc(cc1)C(=O)n1c(O)c(C)oc1=O

InChI Key: InChIKey=AEPVUIAOYUQORE-UHFFFAOYSA-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 = 50384113   
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))
BDBM50384113
PNG
(CHEMBL2029558)
Show SMILES COc1ccc(cc1)C(=O)n1c(O)c(C)oc1=O
Show InChI InChI=1S/C12H11NO5/c1-7-10(14)13(12(16)18-7)11(15)8-3-5-9(17-2)6-4-8/h3-6,14H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using chromogenic substrate (N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide after 120 mins


Bioorg Med Chem Lett 22: 3993-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.093
BindingDB Entry DOI: 10.7270/Q2NZ88PG
More data for this
Ligand-Target Pair