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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50098820'   
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))
BDBM50098820
PNG
(2-[1-(5-tert-Butyl-[1,3,4]oxadiazole-2-carbonyl)-2...)
Show SMILES CC(C)OC(=O)N1[C@@H](Cc2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C24H32N4O5/c1-13(2)18(19(29)21-26-27-22(33-21)24(5,6)7)25-20(30)17-12-15-10-8-9-11-16(15)28(17)23(31)32-14(3)4/h8-11,13-14,17-18H,12H2,1-7H3,(H,25,30)/t17-,18-/m0/s1
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PubMed
114n/an/an/an/an/an/an/an/a



Cortech, Inc.

Curated by ChEMBL


Assay Description
Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate


J Med Chem 44: 1268-85 (2001)


BindingDB Entry DOI: 10.7270/Q2B858VW
More data for this
Ligand-Target Pair