BDBM476979 peptidomimetic coronavirus 3CLpro inhibitors 17
SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)N(C)C
InChI Key: InChIKey=MLMGWGFHIFVPAJ-MLCQCVOFSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM476979 (peptidomimetic coronavirus 3CLpro inhibitors 17) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
A*STAR | Assay Description The assays are from references cited in this article. | Bioorg Med Chem Lett 48: 128263 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM476979 (peptidomimetic coronavirus 3CLpro inhibitors 17) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
A*STAR | Assay Description SARS-CoV-2 3CLpro expression and purification is based on a published procedure and our modified protocol is found in the supplementary file. A highl... | Bioorg Med Chem Lett 48: 128263 (2021) | |||||||||||
More data for this Ligand-Target Pair |