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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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 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(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
University Of Bonn

LigandPNGBDBM429328(ALP-POS-c59291d4-6 | CVD-0006355 | jm5b01461, Comp...)
Affinity DataIC50:  4.89E+3nMAssay Description:This is a review article.More 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:  3.14E+3nMAssay Description:Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat 784900) using an Echo 555 acoustic dispenser, and DMSO was back-filled for...More data for this Ligand-Target Pair
In DepthDetails PDB3D3D Structure (crystal)
TargetSerine protease 1(Homo sapiens (Human))
Israel Institution Of Biological Research

LigandPNGBDBM429328(ALP-POS-c59291d4-6 | CVD-0006355 | jm5b01461, Comp...)
Affinity DataIC50:  9.90E+4nMMore data for this Ligand-Target Pair
In DepthDetails
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:Inhibition of SARS-CoV-2 main protease incubated for 30 mins by FRET based 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:  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
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
University Of Bonn

LigandPNGBDBM429328(ALP-POS-c59291d4-6 | CVD-0006355 | jm5b01461, Comp...)
Affinity DataIC50:  4.89E+3nMAssay Description:This is a review article.More 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:  3.14E+3nMAssay Description:Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat. no. 784900) using an Echo 555 acoustic dispenser, and dimethyl sulfoxide ...More data for this Ligand-Target Pair