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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 33120   
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
Toll-like receptor 9


(Homo sapiens (Human))
BDBM33120
PNG
(2-({7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,...)
Show SMILES CCCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C16H18N6O5S/c1-3-4-12(23)26-8-6-17-10-9-11(28-16-18-5-7-21(16)2)13-14(20-27-19-13)15(10)22(24)25/h5,7,9,17H,3-4,6,8H2,1-2H3
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n/an/a 3.57E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM33120
PNG
(2-({7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,...)
Show SMILES CCCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C16H18N6O5S/c1-3-4-12(23)26-8-6-17-10-9-11(28-16-18-5-7-21(16)2)13-14(20-27-19-13)15(10)22(24)25/h5,7,9,17H,3-4,6,8H2,1-2H3
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n/an/a 5.47E+3n/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 (2009)


BindingDB Entry DOI: 10.7270/Q20C4T6J
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM33120
PNG
(2-({7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,...)
Show SMILES CCCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C16H18N6O5S/c1-3-4-12(23)26-8-6-17-10-9-11(28-16-18-5-7-21(16)2)13-14(20-27-19-13)15(10)22(24)25/h5,7,9,17H,3-4,6,8H2,1-2H3
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n/an/a 8.31E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM33120
PNG
(2-({7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,...)
Show SMILES CCCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C16H18N6O5S/c1-3-4-12(23)26-8-6-17-10-9-11(28-16-18-5-7-21(16)2)13-14(20-27-19-13)15(10)22(24)25/h5,7,9,17H,3-4,6,8H2,1-2H3
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n/an/a 3.05E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair