null
SMILES: COc1cccc2[nH]c(cc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(NC(C)(C)C)C#N
InChI Key:
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 (HCoV-229E) | BDBM577024 (US11472793, Compound 323 (Isomer 2)) | PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | n/a | <2.00E+3 | n/a | n/a | n/a | n/a |
TBA | Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c... | Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM577024 (US11472793, Compound 323 (Isomer 2)) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-... | Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-229E) | BDBM577024 (US11472793, Compound 323 (Isomer 2)) | PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c... | Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00 | |||||||||||
More data for this Ligand-Target Pair |