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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 47908   
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
Replicase polyprotein 1ab


(2019-nCoV)
BDBM47908
PNG
(2-chloranyl-1-[3-(3,4-dimethoxyphenyl)-5-thiophen-...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1C(=O)CCl)c1cccs1 |c:13|
Show InChI InChI=1S/C17H17ClN2O3S/c1-22-14-6-5-11(8-15(14)23-2)13-9-12(16-4-3-7-24-16)19-20(13)17(21)10-18/h3-8,13H,9-10H2,1-2H3
PDB
MMDB

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UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem

Similars

n/an/a 969n/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)
BDBM47908
PNG
(2-chloranyl-1-[3-(3,4-dimethoxyphenyl)-5-thiophen-...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1C(=O)CCl)c1cccs1 |c:13|
Show InChI InChI=1S/C17H17ClN2O3S/c1-22-14-6-5-11(8-15(14)23-2)13-9-12(16-4-3-7-24-16)19-20(13)17(21)10-18/h3-8,13H,9-10H2,1-2H3
PDB
MMDB

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n/an/a 1.87E+3n/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
Replicase polyprotein 1ab


(2019-nCoV)
BDBM47908
PNG
(2-chloranyl-1-[3-(3,4-dimethoxyphenyl)-5-thiophen-...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1C(=O)CCl)c1cccs1 |c:13|
Show InChI InChI=1S/C17H17ClN2O3S/c1-22-14-6-5-11(8-15(14)23-2)13-9-12(16-4-3-7-24-16)19-20(13)17(21)10-18/h3-8,13H,9-10H2,1-2H3
PDB
MMDB

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n/an/a 1.88E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47908
PNG
(2-chloranyl-1-[3-(3,4-dimethoxyphenyl)-5-thiophen-...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1C(=O)CCl)c1cccs1 |c:13|
Show InChI InChI=1S/C17H17ClN2O3S/c1-22-14-6-5-11(8-15(14)23-2)13-9-12(16-4-3-7-24-16)19-20(13)17(21)10-18/h3-8,13H,9-10H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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MCE
PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.30E+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
Serine protease 1


(Homo sapiens (Human))
BDBM47908
PNG
(2-chloranyl-1-[3-(3,4-dimethoxyphenyl)-5-thiophen-...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1C(=O)CCl)c1cccs1 |c:13|
Show InChI InChI=1S/C17H17ClN2O3S/c1-22-14-6-5-11(8-15(14)23-2)13-9-12(16-4-3-7-24-16)19-20(13)17(21)10-18/h3-8,13H,9-10H2,1-2H3
PDB
MMDB

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KEGG

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MCE
PC cid
PC sid
UniChem

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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