BDBM50005147 (S)-1-{(S)-2-[4-(4-Bromo-benzenesulfonylaminocarbonyl)-benzoylamino]-3-methyl-butyryl}-pyrrolidine-2-carboxylic acid (3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-amide::1-{2-[4-(4-Bromo-benzenesulfonylaminocarbonyl)-benzoylamino]-3-methyl-butyryl}-pyrrolidine-2-carboxylic acid (3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-amide::CHEMBL3085439::ICI-200355
SMILES: CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
InChI Key: InChIKey=UUWIYANOKPHUQZ-NTZARQNWSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Leukocyte elastase (Homo sapiens (Human)) | BDBM50005147 ((S)-1-{(S)-2-[4-(4-Bromo-benzenesulfonylaminocarbo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity for human leukocyte elastase (HLE); Kreact/Kinact | Bioorg Med Chem Lett 5: 319-324 (1995) Article DOI: 10.1016/0960-894X(95)00028-R BindingDB Entry DOI: 10.7270/Q22F7NDM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50005147 ((S)-1-{(S)-2-[4-(4-Bromo-benzenesulfonylaminocarbo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE) | Bioorg Med Chem Lett 5: 325-330 (1995) Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50005147 ((S)-1-{(S)-2-[4-(4-Bromo-benzenesulfonylaminocarbo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent binding constant | Bioorg Med Chem Lett 4: 1801-1806 (1994) Article DOI: 10.1016/S0960-894X(01)80374-7 BindingDB Entry DOI: 10.7270/Q25M65PP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50005147 ((S)-1-{(S)-2-[4-(4-Bromo-benzenesulfonylaminocarbo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay | J Med Chem 40: 1876-85 (1997) Article DOI: 10.1021/jm960819g BindingDB Entry DOI: 10.7270/Q2X92BZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50005147 ((S)-1-{(S)-2-[4-(4-Bromo-benzenesulfonylaminocarbo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibitory activity against human leukocyte elastase | J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9 | |||||||||||
More data for this Ligand-Target Pair |