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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50291754'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neutrophil elastase


(Homo sapiens (Human))
BDBM50291754
PNG
(2-Amino-5-ethyl-benzo[d][1,3]oxazin-4-one | CHEMBL...)
Show SMILES CCc1cccc2nc(N)oc(=O)c12
Show InChI InChI=1S/C10H10N2O2/c1-2-6-4-3-5-7-8(6)9(13)14-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
5.01E+3n/an/an/an/a 0.0000776 15.1n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


J Med Chem 33: 464-79 (1990)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50291754
PNG
(2-Amino-5-ethyl-benzo[d][1,3]oxazin-4-one | CHEMBL...)
Show SMILES CCc1cccc2nc(N)oc(=O)c12
Show InChI InChI=1S/C10H10N2O2/c1-2-6-4-3-5-7-8(6)9(13)14-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Rate of deacylation by human leukocyte elastase


J Med Chem 30: 589-591 (1987)


Article DOI: 10.1021/jm00387a001
BindingDB Entry DOI: 10.7270/Q2GQ6XRH
More data for this
Ligand-Target Pair