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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50321751'   
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))
BDBM50321751
PNG
(5-Chloro-2-(2-methylphenyl)-4H-benzo[d][1,3]oxazin...)
Show SMILES Cc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1
Show InChI InChI=1S/C15H10ClNO2/c1-9-5-2-3-6-10(9)14-17-12-8-4-7-11(16)13(12)15(18)19-14/h2-8H,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 48.8n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase after 2 mins by ELISA


Eur J Med Chem 45: 3111-5 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.046
BindingDB Entry DOI: 10.7270/Q2251JCW
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50321751
PNG
(5-Chloro-2-(2-methylphenyl)-4H-benzo[d][1,3]oxazin...)
Show SMILES Cc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1
Show InChI InChI=1S/C15H10ClNO2/c1-9-5-2-3-6-10(9)14-17-12-8-4-7-11(16)13(12)15(18)19-14/h2-8H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 57.1n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase after 30 mins by ELISA


Eur J Med Chem 45: 3111-5 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.046
BindingDB Entry DOI: 10.7270/Q2251JCW
More data for this
Ligand-Target Pair