null
SMILES: CC[C@@H]1NC(=O)[C@@H](N)CCNC(=O)[C@@H]2CSC(=N2)c2cccc(n2)C2=N[C@@H](CS2)C(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)C(C)(C)C)C(N)=O
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) | BDBM50567197![]() (CHEMBL4846266) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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 |