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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 47876   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3C-like protease


(Avian infectious bronchitis virus)
BDBM47876
PNG
(4-(4-phenylpiperazin-1-yl)carbonyl-1H-quinolin-2-o...)
Show SMILES O=C(N1CCN(CC1)c1ccccc1)c1cc(=O)[nH]c2ccccc12
Show InChI InChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24)
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UniProtKB/TrEMBL

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PC sid
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PCBioAssay
n/an/a 9.95E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29K48NM
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM47876
PNG
(4-(4-phenylpiperazin-1-yl)carbonyl-1H-quinolin-2-o...)
Show SMILES O=C(N1CCN(CC1)c1ccccc1)c1cc(=O)[nH]c2ccccc12
Show InChI InChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24)
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n/an/a 1.04E+4n/an/an/an/an/an/a



Israel Institution of Biological Research



Assay Description
The assay was performed according to the published procedure. Briefly, compounds were seeded into assay-ready plates (Greiner 384PP, cat# 781280) usi...


bioRxiv 2021: (2021)


BindingDB Entry DOI: 10.7270/Q2MS3WV7
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM47876
PNG
(4-(4-phenylpiperazin-1-yl)carbonyl-1H-quinolin-2-o...)
Show SMILES O=C(N1CCN(CC1)c1ccccc1)c1cc(=O)[nH]c2ccccc12
Show InChI InChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24)
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n/an/a 2.75E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM47876
PNG
(4-(4-phenylpiperazin-1-yl)carbonyl-1H-quinolin-2-o...)
Show SMILES O=C(N1CCN(CC1)c1ccccc1)c1cc(=O)[nH]c2ccccc12
Show InChI InChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24)
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n/an/a 2.75E+4n/an/an/an/an/an/a



Israel Institution of Biological Research



Assay 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...


bioRxiv 2021: (2021)


BindingDB Entry DOI: 10.7270/Q2MS3WV7
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM47876
PNG
(4-(4-phenylpiperazin-1-yl)carbonyl-1H-quinolin-2-o...)
Show SMILES O=C(N1CCN(CC1)c1ccccc1)c1cc(=O)[nH]c2ccccc12
Show InChI InChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24)
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n/an/a 9.90E+4n/an/an/an/an/an/a



Israel Institution of Biological Research





bioRxiv 2021: (2021)


BindingDB Entry DOI: 10.7270/Q2MS3WV7
More data for this
Ligand-Target Pair