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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50216627   
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
Hemagglutinin


(Influenza A virus (strain A/Aichi/2/1968 H3N2))
BDBM50216627
PNG
((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)
Show SMILES CC(N)C12CC3CC(CC(C3)C1)C2 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:4:5:8:12.3.11,4:3:6.5.10:8,1:3:6.5.10:8|
Show InChI InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3
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US Patent
n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
The cytopathic effect (CPE) inhibition test is used for measuring the antiviral effect. Monolayer cells in 96-well plates are inoculated with 0.1 ml ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MW2MBV
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(Homo sapiens (Human))
BDBM50216627
PNG
((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)
Show SMILES CC(N)C12CC3CC(CC(C3)C1)C2 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:4:5:8:12.3.11,4:3:6.5.10:8,1:3:6.5.10:8|
Show InChI InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3
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Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay


J Med Chem 56: 781-95 (2013)


Article DOI: 10.1021/jm301302s
BindingDB Entry DOI: 10.7270/Q2F76DWZ
More data for this
Ligand-Target Pair
Multidrug and toxin extrusion protein 1


(Homo sapiens (Human))
BDBM50216627
PNG
((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)
Show SMILES CC(N)C12CC3CC(CC(C3)C1)C2 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:4:5:8:12.3.11,4:3:6.5.10:8,1:3:6.5.10:8|
Show InChI InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3
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Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay


J Med Chem 56: 781-95 (2013)


Article DOI: 10.1021/jm301302s
BindingDB Entry DOI: 10.7270/Q2F76DWZ
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50216627
PNG
((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)
Show SMILES CC(N)C12CC3CC(CC(C3)C1)C2 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:4:5:8:12.3.11,4:3:6.5.10:8,1:3:6.5.10:8|
Show InChI InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3
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Article
PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes assessed as blockade of inward currents at...


ACS Med Chem Lett 9: 198-203 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00458
BindingDB Entry DOI: 10.7270/Q2GQ71F3
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50216627
PNG
((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)
Show SMILES CC(N)C12CC3CC(CC(C3)C1)C2 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:4:5:8:12.3.11,4:3:6.5.10:8,1:3:6.5.10:8|
Show InChI InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3
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Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) PA endonuclease infected in MDCK cells assessed as reduction in virus titer treated with c...


Eur J Med Chem 161: 526-532 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.063
BindingDB Entry DOI: 10.7270/Q2ZW1Q61
More data for this
Ligand-Target Pair
Multidrug and toxin extrusion protein 2


(Homo sapiens (Human))
BDBM50216627
PNG
((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)
Show SMILES CC(N)C12CC3CC(CC(C3)C1)C2 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:4:5:8:12.3.11,4:3:6.5.10:8,1:3:6.5.10:8|
Show InChI InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3
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Article
PubMed
n/an/a 2.88E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay


J Med Chem 56: 781-95 (2013)


Article DOI: 10.1021/jm301302s
BindingDB Entry DOI: 10.7270/Q2F76DWZ
More data for this
Ligand-Target Pair