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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50036095'   
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))
BDBM50036095
PNG
(2-[5-Cyclohexanesulfonylamino-2-(4-fluoro-phenyl)-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NS(=O)(=O)C2CCCCC2)c1=O)-c1ccc(F)cc1)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C28H40BFN4O6S/c1-18(2)24(29-39-27(3,4)28(5,6)40-29)32-23(35)17-34-25(19-12-14-20(30)15-13-19)31-16-22(26(34)36)33-41(37,38)21-10-8-7-9-11-21/h12-16,18,21,24,33H,7-11,17H2,1-6H3,(H,32,35)
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
0.210n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA


J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair