BDBM476999 Inhibitor 19 of SARS-CoV-2 Mpro
SMILES: Cn1cc(-c2cc(-c3cc(Cl)c(F)c(OCc4ccccc4Cl)c3)c(=O)n(c2)-c2cccnc2)c(=O)[nH]c1=O
InChI Key: InChIKey=KIJKUSPNZALBLD-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Replicase polyprotein 1ab (2019-nCoV) | BDBM476999 (Inhibitor 19 of SARS-CoV-2 Mpro) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University | Assay Description Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif... | ACS Med Chem Lett 12: 1325-1332 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM476999 (Inhibitor 19 of SARS-CoV-2 Mpro) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | n/a | 175 | n/a | n/a | n/a | n/a |
Yale University | Assay Description These include a rapid screening replicon assay using baby hamster kidney (BHK) cells with noninfectious SARS-CoV-2, in which the spike protein in the... | ACS Med Chem Lett 12: 1325-1332 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM476999 (Inhibitor 19 of SARS-CoV-2 Mpro) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
Yale University | Assay Description These assays are from various references. | ACS Med Chem Lett 12: 1325-1332 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM476999 (Inhibitor 19 of SARS-CoV-2 Mpro) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | n/a | 175 | n/a | n/a | n/a | n/a |
Yale University | Assay Description These include a rapid screening replicon assay using baby hamster kidney (BHK) cells with noninfectious SARS-CoV-2, in which the spike protein in the... | ACS Med Chem Lett 12: 1325-1332 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM476999 (Inhibitor 19 of SARS-CoV-2 Mpro) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University | Assay Description Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif... | ACS Med Chem Lett 12: 1325-1332 (2021) | |||||||||||
More data for this Ligand-Target Pair |