BDBM31524 5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide (I-1)::AKOS015840255::GRL0617::Naphthalene and Benzamide Derivative, 25::SARS-CoV-2 PLpro Inhibitor, GRL0617 (1)::med.21724, Compound 159

SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc2ccccc12

InChI Key InChIKey=UVERBUNNCOKGNZ-CQSZACIVSA-N

Data  14 IC50  2 Kd  2 EC50

PDB links: 6 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 18 hits for monomerid = 31524   

TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
Purdue University

LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Affinity DataIC50:  2.64E+3nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Affinity DataIC50:  1.79E+3nMAssay Description:Inhibition of N-terminal 3xFlag-His6-tagged SARS-CoV-2 papain-like protease nsp3 (1564 to 1878 residues) expressed in baculovirus infected Sf9 insect...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Affinity DataIC50:  2.40E+3nMAssay Description:Emulating Ratia et al., who detailed the potency of these four compounds against SARS-CoV-1, we utilized the peptide-AMC substrate concentration of 5...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Affinity DataEC50:  2.76E+4nMAssay Description:Emulating Ratia et al., who detailed the potency of these four compounds against SARS-CoV-1, we utilized the peptide-AMC substrate concentration of 5...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1a(Human SARS coronavirus (SARS-CoV))
University Of Bonn

LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Affinity DataIC50:  600nMAssay Description:This is a review article.More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Affinity DataIC50:  1.61E+3nMAssay Description:The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Affinity DataKd:  2.70E+3nMAssay Description:The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...More data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))
University Of Illinois At Chicago

LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Affinity DataEC50: >2.00E+4nMAssay Description:A549-hACE2 cells were seeded 1.5 × 105 cells/well in DMEM complete into 24-well plates (0.5 mL/well) and then incubated for 16 h at 37 °C and 5% CO2....More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Affinity DataIC50:  1.61E+3nMAssay Description:Inhibition of SARS-CoV-2 PLproMore data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Affinity DataIC50:  6.97E+3nMAssay Description:Inhibition of full-length SARS-CoV-2 PLpro expressed in Escherichia coli BL21(DE3) using HCC-RLRGG-NH(CH2)4NH-DABCYL probe as substrate incubated for...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Affinity DataIC50:  2.67E+3nMAssay Description:Inhibition of full-length SARS-CoV-2 PLpro expressed in Escherichia coli BL21(DE3) using Ub-Rho as substrate incubated for 5 mins by enzymatic assayMore data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Affinity DataIC50:  600nMAssay Description:Inhibition of SARS CoV-2 PL protease (1541 to 1855 residues) incubated for 3 hrs by microplate reader analysisMore data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Affinity DataKd:  1.08E+4nMAssay Description:Binding affinity to CM5 chip immobilized full-length wild-type SARS-CoV-2 papain-like protease (1564 to 1878 residues) expressed in Escherichia coli ...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Affinity DataIC50:  2.30E+3nMAssay Description:Inhibition of SARS-CoV-2 papain-like protease nsp3 expressed in Escherichia coli BL21 (DE3) using LKGG-AMC probe as substrate by fluorescence based b...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Affinity DataIC50:  2.10E+3nMAssay Description:Inhibition of N-terminal His/TEV-tagged SARS-CoV-2 papain-like protease nsp3 (746 to 1060 residues) expressed in Escherichia coli BL21 (DE3) using (Z...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Affinity DataIC50:  1.39E+3nMAssay Description:Inhibition of SARS-CoV-2 PLproMore data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Affinity DataIC50:  1.39E+3nMAssay Description:Inhibition of full-length SARS-CoV-2 papain-like protease (1564 to 1878 residues) expressed in Escherichia coli Rosetta (DE3) using Arg-Leu-Arg-Gly-G...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
Purdue University

LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Affinity DataIC50:  230nMpH: 7.5Assay Description:done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff...More data for this Ligand-Target Pair