BDBM50037375 CHEMBL275043::{2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid pyridin-4-ylmethyl ester
SMILES: CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccncc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F
InChI Key: InChIKey=SVIANZQCDOJOQO-UHFFFAOYSA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Leukocyte elastase (Homo sapiens (Human)) | BDBM50037375 (CHEMBL275043 | {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 | 8 | 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 | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50037375 (CHEMBL275043 | {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 | 8 | 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 | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50037375 (CHEMBL275043 | {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 | 8 | 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 |