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BDBM11243 AG7088::CHEMBL20210::US11859014, Compound rupintrivir::cmdc.202100576, 24f::ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate::ethyl (2E,4S)-4-[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazol-3-yl)formamido]-4-oxoheptanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate::med.21724, Compound 29
SMILES: CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1
InChI Key: InChIKey=CAYJBRBGZBCZKO-UHFFFAOYSA-N
| 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) | BDBM11243![]() (ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...) | GoogleScholar | UniChem | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.0 | 25 | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Replicase polyprotein 1ab (SARS-CoV) | BDBM11243![]() (ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...) | 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 1ab (HCoV-229E) | BDBM11243![]() (ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...) | GoogleScholar | UniChem | n/a | n/a | >2.00E+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 (2019-nCoV) | BDBM11243![]() (ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...) | GoogleScholar | UniChem | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Genome polyprotein (Norovirus Hu/GII.P4_GII.4/Minerva) | BDBM11243![]() (ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...) | GoogleScholar | UniChem | n/a | n/a | 2.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Genome polyprotein (Human rhinovirus B) | BDBM11243![]() (ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...) | GoogleScholar | UniChem | n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Genome polyprotein (Human rhinovirus B) | BDBM11243![]() (ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...) | GoogleScholar | UniChem | n/a | n/a | 23 | 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 (2019-nCoV) | BDBM11243![]() (ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...) | GoogleScholar | UniChem | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Phosphatidylinositol 4-kinase alpha (Human) | BDBM11243![]() (ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...) | GoogleScholar | UniChem | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Phosphatidylinositol 4-kinase beta (Human) | BDBM11243![]() (ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...) | GoogleScholar | UniChem | n/a | n/a | >1.00E+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 (2019-nCoV) | BDBM11243![]() (ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...) | GoogleScholar | UniChem | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Phosphatidylinositol 4-kinase beta (Human) | BDBM11243![]() (ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...) | GoogleScholar | UniChem | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Phosphatidylinositol 4-kinase alpha (Human) | BDBM11243![]() (ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...) | GoogleScholar | UniChem | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Genome polyprotein (Norovirus Hu/GII.P4_GII.4/Minerva) | BDBM11243![]() (ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...) | GoogleScholar | UniChem | 8.20E+3 | n/a | n/a | 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) | BDBM11243![]() (ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...) | GoogleScholar | UniChem | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||