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SMILES: CC(C)C[C@H](N(C)C(=O)c1cc2cc(F)ccc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)[C@H](F)Cl

InChI Key:

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 525213   
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)		BDBM525213
PNG
(WO2022043374, Example 57-B)
Show SMILES CC(C)C[C@H](N(C)C(=O)c1cc2cc(F)ccc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)[C@H](F)Cl
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022043374
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
For the SARS-CoV-2 3CLpro assay, 2 μL of 0.02 μM recombinant SARS-CoV-2 3CL protease were mixed with serial dilutions of each c...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SF30BV
More data for this
Ligand-Target Pair