BDBM19488 2-{2-[2,3-difluoro-4-(2-methylpropyl)phenyl]phenoxy}acetaldehyde::Aldehyde Inhibitor, 12e
SMILES: CC(C)Cc1ccc(c(F)c1F)-c1ccccc1OCC=O
InChI Key: InChIKey=DKFPXJJEONKADI-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin S (Homo sapiens (Human)) | BDBM19488 (2-{2-[2,3-difluoro-4-(2-methylpropyl)phenyl]phenox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 9.60 | -11.4 | n/a | n/a | n/a | n/a | n/a | 6.1 | 37 |
University of California at Berkeley | Assay Description The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read... | J Med Chem 50: 2693-9 (2007) Article DOI: 10.1021/jm070111+ BindingDB Entry DOI: 10.7270/Q2BP012X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19488 (2-{2-[2,3-difluoro-4-(2-methylpropyl)phenyl]phenox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.24E+3 | -8.38 | n/a | n/a | n/a | n/a | n/a | 6.1 | 37 |
University of California at Berkeley | Assay Description The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read... | J Med Chem 50: 2693-9 (2007) Article DOI: 10.1021/jm070111+ BindingDB Entry DOI: 10.7270/Q2BP012X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM19488 (2-{2-[2,3-difluoro-4-(2-methylpropyl)phenyl]phenox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | >1.50E+4 | >-6.84 | n/a | n/a | n/a | n/a | n/a | 6.1 | 37 |
University of California at Berkeley | Assay Description The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read... | J Med Chem 50: 2693-9 (2007) Article DOI: 10.1021/jm070111+ BindingDB Entry DOI: 10.7270/Q2BP012X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM19488 (2-{2-[2,3-difluoro-4-(2-methylpropyl)phenyl]phenox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | >1.50E+4 | >-6.84 | n/a | n/a | n/a | n/a | n/a | 6.1 | 37 |
University of California at Berkeley | Assay Description The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read... | J Med Chem 50: 2693-9 (2007) Article DOI: 10.1021/jm070111+ BindingDB Entry DOI: 10.7270/Q2BP012X | |||||||||||
More data for this Ligand-Target Pair |