BDBM484196 CDD-1713
SMILES: COc1cc(cc(C=O)c1OCC(=O)N(C)C)-c1cccc2[nH]ncc12
InChI Key: InChIKey=LDHIKLLVVUEYPE-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) | BDBM484196 (CDD-1713) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine | Assay Description To determine the Ki values of active compounds, 25 nM Mpro was mixed with increasing concentrations of compounds (from 4 nM to 4,000 nM with twofold ... | Proc Natl Acad Sci U S A 118: (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM484196 (CDD-1713) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 5.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine | Assay Description Inhibition of SARS-CoV-2 replication in VERO E6 and HEK hACE2 cells was measured using an xCELLigence RTCA HT Analyzer (Agilent Technologies), tracki... | Proc Natl Acad Sci U S A 118: (2021) | |||||||||||
More data for this Ligand-Target Pair |