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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50406196'   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406196
PNG
(CHEMBL335798)
Show SMILES CC(C)N(C(C)C)c1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C15H20N2O2/c1-9(2)17(10(3)4)15-16-12-8-6-7-11(5)13(12)14(18)19-15/h6-10H,1-5H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
398n/an/an/an/a 0.0000389 97.7n/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
Article DOI: 10.1021/jm00164a002
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair