BDBM420283 alpha-ketoamide inhibitor 11r::med.21724, Compound 64
SMILES: O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NCc1ccccc1)\C=C\c1ccccc1
InChI Key: InChIKey=QTGORSKTHIBLJT-FIVJMQNTSA-N
Data: 3 IC50
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 (Severe acute respiratory syndrome coronavirus 2) | BDBM420283 (alpha-ketoamide inhibitor 11r | med.21724, Compoun...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | UniChem | Article PubMed | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lubeck | Assay Description A fluorescent substrate harboring the cleavage site (indicated by the arrow, ↓) of SARS-CoV-2 Mpro(Dabcyl-KTSAVLQ↓SGFRKM-E(Edans)-NH2; GL... | Science 368: 409-412 (2020) Article DOI: 10.1126/science.abb3405 BindingDB Entry DOI: 10.7270/Q2CN7689 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM420283 (alpha-ketoamide inhibitor 11r | med.21724, Compoun...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | UniChem | Article PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn | Assay Description This is a review article. | Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM420283 (alpha-ketoamide inhibitor 11r | med.21724, Compoun...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | UniChem | Article PubMed | n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn | Assay Description This is a review article. | Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6 | |||||||||||
More data for this Ligand-Target Pair |