BDBM50137743 (1S,3aR,6aS)-4,4-Difluoro-2-[(S)-2-((R)-2-hydroxy-3-methyl-butyrylamino)-3-methyl-butyryl]-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid (1-phenylaminooxalyl-butyl)-amide::CHEMBL316263
SMILES: CCCC(NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](O)C(C)C)C(C)C)C(=O)C(=O)Nc1ccccc1
InChI Key: InChIKey=LIXBSOHVZDEEHF-RRXGFBBESA-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) | BDBM50137743 ((1S,3aR,6aS)-4,4-Difluoro-2-[(S)-2-((R)-2-hydroxy-...) | MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.00E+3 | 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: 263-6 (2003) BindingDB Entry DOI: 10.7270/Q2VX0FX5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human rhinovirus A protease (Human rhinovirus B) | BDBM50137743 ((1S,3aR,6aS)-4,4-Difluoro-2-[(S)-2-((R)-2-hydroxy-...) | MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem 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 Inhibitory activity of the compound against Protease using replicon assay in rats at 50 microM concentration | Bioorg Med Chem Lett 14: 263-6 (2003) BindingDB Entry DOI: 10.7270/Q2VX0FX5 | |||||||||||
More data for this Ligand-Target Pair |