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BDBM50176014 (S,E)-ethyl 4-((2R,5S)-6-methyl-2-(3-methylbut-2-enyl)-5-(5-methylisoxazole-3-carboxamido)-4-oxoheptanamido)-5-((S)-2-oxopyrrolidin-3-yl)pent-2-enoate::4-{(1R,5S)-6-Methyl-2-(3-methyl-but-2-enyl)-5-[((S)-5-methyl-isoxazole-3-carbonyl)-amino]-4-oxo-heptanoylamino}-5-((S)-2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester::CHEMBL196635::N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE::acs.jmedchem.1c00409_ST.729
SMILES: [#6]-[#6]-[#8]-[#6](=O)\[#6]=[#6]\[#6@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#7]-[#6]-1=O)-[#7]-[#6](=O)-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-c1cc(-[#6])on1)-[#6](-[#6])-[#6]
InChI Key: InChIKey=FKDFYGXLCMKPMP-UHFFFAOYSA-N
Data: 3 IC50
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab (SARS-CoV) | BDBM50176014![]() (N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOP...) | GoogleScholar | UniChem | n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Replicase polyprotein 1ab (SARS-CoV) | BDBM50176014![]() (N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOP...) | GoogleScholar | UniChem | n/a | n/a | 8.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Replicase polyprotein 1a (SARS-CoV) | BDBM50176014![]() (N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOP...) | GoogleScholar | UniChem | n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||