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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Monomerid = 50071970   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))
BDBM50071970
PNG
((R)-2-{[1-((S)-2-{(2S,3S)-2-[(R)-2-((S)-2-Acetylam...)
Show SMILES CCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C38H56N6O12/c1-7-13-25(38(55)56-20-24-14-10-9-11-15-24)40-35(52)28-16-12-17-44(28)37(54)31(21(3)4)42-36(53)32(22(5)8-2)43-34(51)27(19-30(48)49)41-33(50)26(18-29(46)47)39-23(6)45/h9-11,14-15,21-22,25-28,31-32H,7-8,12-13,16-20H2,1-6H3,(H,39,45)(H,40,52)(H,41,50)(H,42,53)(H,43,51)(H,46,47)(H,48,49)/t22-,25+,26-,27+,28-,31-,32-/m0/s1
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Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human leucocyte elastase (HLE)


Bioorg Med Chem Lett 8: 2719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00480-6
BindingDB Entry DOI: 10.7270/Q2V69HRX
More data for this
Ligand-Target Pair