BDBM50589775 CHEMBL5172248

SMILES Clc1ccc(cc1Cl)N1CCN(CC1C(=O)NCc1cccs1)C(=O)c1cc(=O)[nH]c(=O)[nH]1

InChI Key InChIKey=PBLOKSLGZKWIQI-UHFFFAOYSA-N

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50589775   

TargetReplicase polyprotein 1ab(2019-nCoV)
Shandong University

Curated by ChEMBL

LigandBDBM50589775(CHEMBL5172248)Copy SMILESCopy InChI

Affinity DataIC50:  0.610nMAssay Description:Inhibition of SARS-CoV-2 main protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as fluorescent substrate preincubated for 10 mins followed by substrate ad...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
B.MOADDrugBankGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails PubMedPDB3D Structure (crystal)
Copy BDB DOI