null
SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CSC(=N2)c2cc(C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC3CC3)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(N)=O)ccn2
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 (2019-nCoV) | BDBM50567184![]() (CHEMBL4873791) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of SARS CoV-2 main protease using DABCYL-KTSAVLQ1SGFRKM-E(EDANS)-NH2 as substrate by FRET based assay | Citation and Details Article DOI: 10.1016/j.bmcl.2021.128333 BindingDB Entry DOI: 10.7270/Q29W0K7J | |||||||||||
More data for this Ligand-Target Pair |