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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50005144'   
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))
BDBM50005144
PNG
((2-Methyl-1-{methyl-[(3,3,3-trifluoro-1-isopropyl-...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(C)CC(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H30F3N3O5/c1-13(2)17(19(30)22(23,24)25)26-16(29)11-28(5)20(31)18(14(3)4)27-21(32)33-12-15-9-7-6-8-10-15/h6-10,13-14,17-18H,11-12H2,1-5H3,(H,26,29)(H,27,32)
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Similars

Article
PubMed
n/an/a 153n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair