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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for drug = Acyclovir in Sodium Chloride 0.9% Preservative Free   
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
G-protein coupled receptor 55


(Homo sapiens)
BDBM237
PNG
(1,2,5-trimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-ium...)
Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2cc(C)ccc2n1C
Show InChI InChI=1S/C19H21N2/c1-14-5-8-19-18(13-14)17(15(2)21(19)4)7-6-16-9-11-20(3)12-10-16/h5-13H,1-4H3/q+1
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n/an/a 462n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens)
BDBM237
PNG
(1,2,5-trimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-ium...)
Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2cc(C)ccc2n1C
Show InChI InChI=1S/C19H21N2/c1-14-5-8-19-18(13-14)17(15(2)21(19)4)7-6-16-9-11-20(3)12-10-16/h5-13H,1-4H3/q+1
PDB
MMDB

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n/an/a 548n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F47MKR
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM237
PNG
(1,2,5-trimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-ium...)
Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2cc(C)ccc2n1C
Show InChI InChI=1S/C19H21N2/c1-14-5-8-19-18(13-14)17(15(2)21(19)4)7-6-16-9-11-20(3)12-10-16/h5-13H,1-4H3/q+1
PDB

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n/an/a 1.47E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R8T
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM237
PNG
(1,2,5-trimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-ium...)
Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2cc(C)ccc2n1C
Show InChI InChI=1S/C19H21N2/c1-14-5-8-19-18(13-14)17(15(2)21(19)4)7-6-16-9-11-20(3)12-10-16/h5-13H,1-4H3/q+1
PDB
MMDB

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n/an/a 1.80E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25M6443
More data for this
Ligand-Target Pair