BDBM476960 peptidomimetic coronavirus 3CLpro inhibitors 2i

SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1

InChI Key InChIKey=KSCRVOKQPYZBHZ-IXPOFIJOSA-N

Data  1 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 476960   

TargetReplicase polyprotein 1ab(2019-nCoV)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM476960(peptidomimetic coronavirus 3CLpro inhibitors 2i)
Affinity DataKi:  15nMAssay Description:Inhibition of SARS-CoV2 main proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
A*Star

LigandPNGBDBM476960(peptidomimetic coronavirus 3CLpro inhibitors 2i)
Affinity DataIC50:  94nMAssay Description:SARS-CoV-2 3CLpro expression and purification is based on a published procedure and our modified protocol is found in the supplementary file. A highl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
A*Star

LigandPNGBDBM476960(peptidomimetic coronavirus 3CLpro inhibitors 2i)
Affinity DataIC50:  1.70E+3nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB