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PubMed code 32944141

Compile data set for download or QSAR
Found 4 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))		BDBM50544647
PNG
(CHEMBL4634122)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C24H26NO5P/c1-19(2)23(25-24(26)28-18-20-12-6-3-7-13-20)31(27,29-21-14-8-4-9-15-21)30-22-16-10-5-11-17-22/h3-17,19,23H,18H2,1-2H3,(H,25,26)
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MCE
PC cid
PC sid
UniChem
Article
PubMed
 2.96E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using flurogenic substrate as elastase substrate V by fluorescence assay

ACS Med Chem Lett 11: 1739-1744 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00284
BindingDB Entry DOI: 10.7270/Q29P357N
More data for this
Ligand-Target Pair
Myeloblastin


(Homo sapiens (Human))		BDBM50544646
PNG
(CHEMBL4635621)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H26NO4P/c1-19(2)23(25-24(26)28-18-20-12-6-3-7-13-20)30(27,22-16-10-5-11-17-22)29-21-14-8-4-9-15-21/h3-17,19,23H,18H2,1-2H3,(H,25,26)
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 2.65E+4n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human proteinase 3 using flurogenic substrate as elastase substrate V by fluorescence assay

ACS Med Chem Lett 11: 1739-1744 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00284
BindingDB Entry DOI: 10.7270/Q29P357N
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50544646
PNG
(CHEMBL4635621)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H26NO4P/c1-19(2)23(25-24(26)28-18-20-12-6-3-7-13-20)30(27,22-16-10-5-11-17-22)29-21-14-8-4-9-15-21/h3-17,19,23H,18H2,1-2H3,(H,25,26)
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 5.10E+4n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using flurogenic substrate as elastase substrate V by fluorescence assay

ACS Med Chem Lett 11: 1739-1744 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00284
BindingDB Entry DOI: 10.7270/Q29P357N
More data for this
Ligand-Target Pair
Myeloblastin


(Homo sapiens (Human))		BDBM50544648
PNG
(CHEMBL4636971)
Show SMILES CCCP(=O)(Oc1ccccc1)C(NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C21H28NO4P/c1-4-15-27(24,26-19-13-9-6-10-14-19)20(17(2)3)22-21(23)25-16-18-11-7-5-8-12-18/h5-14,17,20H,4,15-16H2,1-3H3,(H,22,23)
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PubMed
 8.38E+4n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human proteinase 3 using flurogenic substrate as elastase substrate V by fluorescence assay

ACS Med Chem Lett 11: 1739-1744 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00284
BindingDB Entry DOI: 10.7270/Q29P357N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%