null
SMILES: CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F
InChI Key: InChIKey=MQIPGYPHWSTWGE-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neutrophil elastase (Homo sapiens (Human)) | BDBM50036127 (CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-p- nitroanilide. | J Med Chem 39: 1112-24 (1996) Article DOI: 10.1021/jm950684z BindingDB Entry DOI: 10.7270/Q25Q4V6Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50036127 (CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Group Curated by ChEMBL | Assay Description Inhibition of Human Leukocyte Elastase (HLE) | J Med Chem 37: 1259-61 (1994) BindingDB Entry DOI: 10.7270/Q2251H7P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chymotrypsin-C (Homo sapiens (Human)) | BDBM50036127 (CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Group Curated by ChEMBL | Assay Description The compound was evaluated for the binding affinity against bovine pancreatic chymotrypsinogen | J Med Chem 37: 1259-61 (1994) BindingDB Entry DOI: 10.7270/Q2251H7P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Anionic trypsin (Bos taurus) | BDBM50036127 (CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Group Curated by ChEMBL | Assay Description Inhibitory activity against bovine pancreatic trypsin | J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Papain (Carica papaya) | BDBM50036127 (CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Group Curated by ChEMBL | Assay Description Inhibitory activity against papain | J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50036127 (CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc Curated by ChEMBL | Assay Description Inhibition of human HLE | Bioorg Med Chem Lett 29: 2535-2550 (2019) Article DOI: 10.1016/j.bmcl.2019.07.033 BindingDB Entry DOI: 10.7270/Q21J9F6X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50036127 (CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Group Curated by ChEMBL | Assay Description Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme | J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chymotrypsin-C (Homo sapiens (Human)) | BDBM50036127 (CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Group Curated by ChEMBL | Assay Description Tested for inhibitory activity against bovine pancreatic chymotrypsinogen | J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50036127 (CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zeneca Pharmaceuticals Group Curated by ChEMBL | Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme | J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50036127 (CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50036127 (CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-p- nitroanilide. | J Med Chem 39: 1112-24 (1996) Article DOI: 10.1021/jm950684z BindingDB Entry DOI: 10.7270/Q25Q4V6Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chymotrypsin-like elastase family member 2A (Sus scrofa) | BDBM50036127 (CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Group Curated by ChEMBL | Assay Description Inhibitory activity against porcine pancreatic elastase | J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP | |||||||||||
More data for this Ligand-Target Pair |