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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50005159'   
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))
BDBM50005159
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(2-met...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC1CCCO1)CC(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C32H38ClF3N4O8S/c1-18(2)26(28(42)32(34,35)36)37-25(41)17-40(16-23-6-5-15-48-23)31(45)27(19(3)4)38-29(43)20-7-9-21(10-8-20)30(44)39-49(46,47)24-13-11-22(33)12-14-24/h7-14,18-19,23,26-27H,5-6,15-17H2,1-4H3,(H,37,41)(H,38,43)(H,39,44)
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MMDB

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Article
PubMed
n/an/a 30n/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