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SMILES: CC(C)(C)C[C@H](NC(=O)\C=C\c1ccc(Cl)cc1F)C(=O)NC(C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 559812   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Replicase polyprotein 1ab


(2019-nCoV)		BDBM559812
PNG
(WO2022129953, Example 11)
Show SMILES CC(C)(C)C[C@H](NC(=O)\C=C\c1ccc(Cl)cc1F)C(=O)NC(C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022129953
n/an/a 7.94n/an/an/an/an/an/a


TBA

Assay Description
The activity of SARS-Cov-2 Mpro was determined in a Fluorescence Resonance Energy Transfer (FRET)-based enzymatic assay using FRET Substrate Dabcyl-K...

Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X26
More data for this
Ligand-Target Pair