BDBM50137713 (S)-2-((S)-3-{[(1S,5S,6R)-4-Fluoro-2-((S)-3-methyl-2-{(S)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-octahydro-cyclopenta[c]pyrrole-1-carbonyl]-amino}-2-oxo-hexanoylamino)-3-phenyl-propionic acid::CHEMBL83596
SMILES: CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
InChI Key: InChIKey=ALPUQHJLNNLOIY-AONPDKIXSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human rhinovirus A protease (Human rhinovirus B) | BDBM50137713 ((S)-2-((S)-3-{[(1S,5S,6R)-4-Fluoro-2-((S)-3-methyl...) | MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratory Curated by ChEMBL | Assay Description Binding affinity towards Protease using PNA assay in rats | Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human rhinovirus A protease (Human rhinovirus B) | BDBM50137713 ((S)-2-((S)-3-{[(1S,5S,6R)-4-Fluoro-2-((S)-3-methyl...) | MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratory Curated by ChEMBL | Assay Description Cytotoxic activity against Protease in rat liver Huh-7 cells | Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9 | |||||||||||
More data for this Ligand-Target Pair |