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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50321750'   
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))
BDBM50321750
PNG
(5-Chloro-2-(2-bromophenyl)-4H-benzo[d][1,3]oxazin-...)
Show SMILES Clc1cccc2nc(oc(=O)c12)-c1ccccc1Br
Show InChI InChI=1S/C14H7BrClNO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24.8n/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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50321750
PNG
(5-Chloro-2-(2-bromophenyl)-4H-benzo[d][1,3]oxazin-...)
Show SMILES Clc1cccc2nc(oc(=O)c12)-c1ccccc1Br
Show InChI InChI=1S/C14H7BrClNO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29.5n/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