BDBM429328 ALP-POS-c59291d4-6::CVD-0006355::jm5b01461, Compound 146

SMILES CC(C)(C)NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1cccnc1

InChI Key InChIKey=JXGIYKRRPGCLFV-UHFFFAOYSA-N

Data  1 KI  8 IC50

PDB links: 2 PDB IDs match this monomer.

  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 3 hits for monomerid = 429328   

TargetReplicase polyprotein 1ab(2019-nCoV)
The University Of Arizona

Curated by ChEMBL
LigandPNGBDBM429328(ALP-POS-c59291d4-6 | CVD-0006355 | jm5b01461, Comp...)
Affinity DataKi:  70nMAssay Description:Non-covalent inhibition to SARS-CoV-2 -Mpro assessed as inhibition constant by native mass spectrometric analysisMore data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
The University Of Arizona

Curated by ChEMBL
LigandPNGBDBM429328(ALP-POS-c59291d4-6 | CVD-0006355 | jm5b01461, Comp...)
Affinity DataIC50:  1.10E+4nMAssay Description:Non-covalent inhibition of SARS-Cov-2 -Mpro incubated for 30 mins using FRET substrate measured for 1 hr by FRET-based enzymatic assayMore data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
The University Of Arizona

Curated by ChEMBL
LigandPNGBDBM429328(ALP-POS-c59291d4-6 | CVD-0006355 | jm5b01461, Comp...)
Affinity DataIC50: >6.00E+4nMAssay Description:Non-covalent inhibition of SARS-Cov-2 PLpro incubated for 30 mins using FRET substrate measured for 1 hr by FRET-based enzymatic assayMore data for this Ligand-Target Pair