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(=O)COP(O)(O)=O
InChI Key:
PDB links: 4 PDB IDs match this monomer.
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) | BDBM510049![]() ('WO2021205298, Compound 49 | (3S)-3-({N-[(4-methox...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid PDB UniChem | WIPO WO2021205298 | 137 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV... | Citation and Details BindingDB Entry DOI: 10.7270/Q232001P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM510049![]() ('WO2021205298, Compound 49 | (3S)-3-({N-[(4-methox...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid PDB UniChem | WIPO WO2021205298 | n/a | n/a | n/a | n/a | 144 | n/a | n/a | n/a | n/a |
TBA | Assay Description The ability of compounds to protect cells against infection by SARS-CoV-2 is measured by a cell viability assay similar to that described in Weislow,... | Citation and Details BindingDB Entry DOI: 10.7270/Q232001P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM510049![]() ('WO2021205298, Compound 49 | (3S)-3-({N-[(4-methox...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid PDB UniChem | WIPO WO2021205298 | n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV... | Citation and Details BindingDB Entry DOI: 10.7270/Q232001P | |||||||||||
More data for this Ligand-Target Pair |