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

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

InChI Key: InChIKey=UVERBUNNCOKGNZ-CQSZACIVSA-N

Data: 4 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 31524   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
SARS Coronavirus Coronavirus Papain-Like Protease


(Human SARS coronavirus (SARS-CoV))
BDBM31524
PNG
(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
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Article
PubMed
n/an/a 2.64E+3n/an/an/an/a7.523



Purdue University



Assay 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...


J Med Chem 52: 5228-40 (2009)


Article DOI: 10.1021/jm900611t
BindingDB Entry DOI: 10.7270/Q2P8497Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM31524
PNG
(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


Med Res Rev (2020)


BindingDB Entry DOI: 10.7270/Q2JS9ST6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Replicase polyprotein 1ab


(2019-nCoV)
BDBM31524
PNG
(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
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n/an/an/an/a 2.76E+4n/an/an/an/a



University of Georgia



Assay 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...


ACS Infect Dis 6: 2099-2109 (2020)


BindingDB Entry DOI: 10.7270/Q2474D7W
More data for this
Ligand-Target Pair
SARS Coronavirus Coronavirus Papain-Like Protease


(Human SARS coronavirus (SARS-CoV))
BDBM31524
PNG
(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
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n/an/a 230n/an/an/an/a7.5n/a



University of Illinois at Chicago



Assay 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...


ACS Chem Biol 10: 1456-65 (2015)


Article DOI: 10.1021/cb500917m
BindingDB Entry DOI: 10.7270/Q2086426
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Replicase polyprotein 1ab


(2019-nCoV)
BDBM31524
PNG
(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Georgia



Assay 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...


ACS Infect Dis 6: 2099-2109 (2020)


BindingDB Entry DOI: 10.7270/Q2474D7W
More data for this
Ligand-Target Pair