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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 78087   
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
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM78087
PNG
(2-[4-(4-methylphenyl)sulfonylimino-1-oxo-2-naphtha...)
Show SMILES COC(=O)C(C(C)=O)=C1C=C(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O |w:8.30,t:9|
Show InChI InChI=1S/C22H19NO6S/c1-13-8-10-15(11-9-13)30(27,28)23-19-12-18(20(14(2)24)22(26)29-3)21(25)17-7-5-4-6-16(17)19/h4-12,23H,1-3H3
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n/an/a 414n/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/Q2S75DTS
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM78087
PNG
(2-[4-(4-methylphenyl)sulfonylimino-1-oxo-2-naphtha...)
Show SMILES COC(=O)C(C(C)=O)=C1C=C(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O |w:8.30,t:9|
Show InChI InChI=1S/C22H19NO6S/c1-13-8-10-15(11-9-13)30(27,28)23-19-12-18(20(14(2)24)22(26)29-3)21(25)17-7-5-4-6-16(17)19/h4-12,23H,1-3H3
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n/an/a 2.83E+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/Q2WW7G4W
More data for this
Ligand-Target Pair
Mitochondrial import inner membrane translocase subunit TIM10


(Saccharomyces cerevisiae S288c)
BDBM78087
PNG
(2-[4-(4-methylphenyl)sulfonylimino-1-oxo-2-naphtha...)
Show SMILES COC(=O)C(C(C)=O)=C1C=C(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O |w:8.30,t:9|
Show InChI InChI=1S/C22H19NO6S/c1-13-8-10-15(11-9-13)30(27,28)23-19-12-18(20(14(2)24)22(26)29-3)21(25)17-7-5-4-6-16(17)19/h4-12,23H,1-3H3
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n/an/a 8.03E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair
Mitochondrial import inner membrane translocase subunit TIM23


(Saccharomyces cerevisiae S288c)
BDBM78087
PNG
(2-[4-(4-methylphenyl)sulfonylimino-1-oxo-2-naphtha...)
Show SMILES COC(=O)C(C(C)=O)=C1C=C(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O |w:8.30,t:9|
Show InChI InChI=1S/C22H19NO6S/c1-13-8-10-15(11-9-13)30(27,28)23-19-12-18(20(14(2)24)22(26)29-3)21(25)17-7-5-4-6-16(17)19/h4-12,23H,1-3H3
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n/an/a 9.86E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q26D5RGW
More data for this
Ligand-Target Pair