BDBM50598433 CHEMBL1997422

SMILES Nc1nonc1-c1nc2ccccc2n1CC(=O)N\N=C\c1ccc(o1)-c1cccc(c1)C(O)=O

InChI Key InChIKey=NYEJLAPAHGAIEO-OPEKNORGSA-N

Data  1 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50598433   

TargetReplicase polyprotein 1ab(2019-nCoV)
Peking University

Curated by ChEMBL
LigandPNGBDBM50598433(CHEMBL1997422)
Affinity DataIC50:  2.13E+4nMAssay Description:Inhibition of SARS CoV-2 main protease using DABCYL-KTSAVLQSGFRKM-E(EDANS)-NH2 as substrate preincubated for 30 mins followed by substrate addition a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Peking University

Curated by ChEMBL
LigandPNGBDBM50598433(CHEMBL1997422)
Affinity DataKd:  2.77E+4nMAssay Description:Binding affinity to SARS-CoV-2 main protease assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed