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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50291916'   
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))
BDBM50291916
PNG
((S)-7-Chloro-2-(2,2-dimethyl-propionyl)-3-(1-methy...)
Show SMILES Cn1nnnc1SCC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)C(C)(C)C
Show InChI InChI=1S/C14H18ClN5O4S2/c1-14(2,3)10(21)9-7(5-25-13-16-17-18-19(13)4)6-26(23,24)12-8(15)11(22)20(9)12/h8,12H,5-6H2,1-4H3/t8-,12?/m0/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/an/an/an/an/a 1.20n/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