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Articleid 50028984

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50280495
PNG
(4-((2S,3S)-3-Ethyl-1-methylcarbamoyl-4-oxo-azetidi...)
Show SMILES CC[C@H]1[C@H](Oc2ccc(cc2)C(O)=O)N(C(=O)NC)C1=O
Show InChI InChI=1S/C14H16N2O5/c1-3-10-11(17)16(14(20)15-2)12(10)21-9-6-4-8(5-7-9)13(18)19/h4-7,10,12H,3H2,1-2H3,(H,15,20)(H,18,19)/t10-,12+/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
1.65E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for inhibition of human leukocyte elastase (HLE)


Bioorg Med Chem Lett 2: 681-684 (1992)


Article DOI: 10.1016/S0960-894X(00)80390-X
BindingDB Entry DOI: 10.7270/Q2FX79C8
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50280496
PNG
(4-((2S,3S)-3-Ethyl-4-oxo-azetidin-2-yloxy)-benzoic...)
Show SMILES CC[C@H]1[C@@H](NC1=O)Oc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C12H13NO4/c1-2-9-10(14)13-11(9)17-8-5-3-7(4-6-8)12(15)16/h3-6,9,11H,2H2,1H3,(H,13,14)(H,15,16)/t9-,11+/m1/s1
PDB
MMDB

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
2.90E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for inhibition of human leukocyte elastase (HLE)


Bioorg Med Chem Lett 2: 681-684 (1992)


Article DOI: 10.1016/S0960-894X(00)80390-X
BindingDB Entry DOI: 10.7270/Q2FX79C8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%