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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50291937'   
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))
BDBM50291937
PNG
(Acetic acid (S)-7-chloro-5,5,8-trioxo-2-phenylacet...)
Show SMILES CC(=O)OCC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C17H16ClNO6S/c1-10(20)25-8-12-9-26(23,24)17-14(18)16(22)19(17)15(12)13(21)7-11-5-3-2-4-6-11/h2-6,14,17H,7-9H2,1H3/t14-,17?/m0/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/an/an/an/an/a 4.90n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair