BDBM476929 SARS-CoV-2 3CLpro Inhibitors 3a::SARS-CoV-2 3CLpro Inhibitors 3b
SMILES: CC(C)C[C@H](NC(=O)OCC1CC2CCCC(C1)C2)C(=O)NC(CC1CCNC1=O)C(O)S([O-])(=O)=O
InChI Key: InChIKey=PGYROSRJIVXTOE-ZRGRQNGMSA-M
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) | BDBM476929 (SARS-CoV-2 3CLpro Inhibitors 3a | SARS-CoV-2 3CLpr...) | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Wichita State University | Assay Description Cloning and Expression of the 3CL Protease of SARS-CoV-2 and FRET Enzyme Assays. The codon-optimized cDNA of full length of 3CLpro of SARS-CoV-2 (Gen... | J Med Chem 64: 10047-10058 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...) | BDBM476929 (SARS-CoV-2 3CLpro Inhibitors 3a | SARS-CoV-2 3CLpr...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Wichita State University | Assay Description Cloning and Expression of the 3CL Protease of SARS-CoV-2 and FRET Enzyme Assays. The codon-optimized cDNA of full length of 3CLpro of SARS-CoV-2 (Gen... | J Med Chem 64: 10047-10058 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM476929 (SARS-CoV-2 3CLpro Inhibitors 3a | SARS-CoV-2 3CLpr...) | 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 | 32 | n/a | n/a | n/a | n/a |
Wichita State University | Assay Description Compounds 2a and 3a were investigated for their antiviral activity against the replication of SARS-CoV-2. Briefly, confluent Vero E6 cells were inocu... | J Med Chem 64: 10047-10058 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM476929 (SARS-CoV-2 3CLpro Inhibitors 3a | SARS-CoV-2 3CLpr...) | 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 | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Wichita State University | Assay Description Cloning and Expression of the 3CL Protease of SARS-CoV-2 and FRET Enzyme Assays. The codon-optimized cDNA of full length of 3CLpro of SARS-CoV-2 (Gen... | J Med Chem 64: 10047-10058 (2021) | |||||||||||
More data for this Ligand-Target Pair |