BDBM50005152 CHEMBL160365::{2-Methyl-1-[3-(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-propyl}-carbamic acid benzyl ester
SMILES: CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1Cc2ccccc2CC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
InChI Key: InChIKey=IKRCWAVITYKYTF-UHFFFAOYSA-N
Data: 2 IC50
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)) | BDBM50005152![]() (CHEMBL160365 | {2-Methyl-1-[3-(3,3,3-trifluoro-1-i...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 73 | 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 | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50005152![]() (CHEMBL160365 | {2-Methyl-1-[3-(3,3,3-trifluoro-1-i...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 233 | 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 |