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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 48026   
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
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM48026
PNG
((NE)-4-ethyl-N-[3-(4-hydroxyanilino)-4-keto-1-naph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12 |w:11.11,t:14|
Show InChI InChI=1S/C24H20N2O4S/c1-2-16-7-13-19(14-8-16)31(29,30)26-22-15-23(25-17-9-11-18(27)12-10-17)24(28)21-6-4-3-5-20(21)22/h3-15,25,27H,2H2,1H3
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n/an/a 1.28E+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/Q25T3HXW
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM48026
PNG
((NE)-4-ethyl-N-[3-(4-hydroxyanilino)-4-keto-1-naph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12 |w:11.11,t:14|
Show InChI InChI=1S/C24H20N2O4S/c1-2-16-7-13-19(14-8-16)31(29,30)26-22-15-23(25-17-9-11-18(27)12-10-17)24(28)21-6-4-3-5-20(21)22/h3-15,25,27H,2H2,1H3
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n/an/a 1.97E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM48026
PNG
((NE)-4-ethyl-N-[3-(4-hydroxyanilino)-4-keto-1-naph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12 |w:11.11,t:14|
Show InChI InChI=1S/C24H20N2O4S/c1-2-16-7-13-19(14-8-16)31(29,30)26-22-15-23(25-17-9-11-18(27)12-10-17)24(28)21-6-4-3-5-20(21)22/h3-15,25,27H,2H2,1H3
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n/an/a 2.07E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM48026
PNG
((NE)-4-ethyl-N-[3-(4-hydroxyanilino)-4-keto-1-naph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12 |w:11.11,t:14|
Show InChI InChI=1S/C24H20N2O4S/c1-2-16-7-13-19(14-8-16)31(29,30)26-22-15-23(25-17-9-11-18(27)12-10-17)24(28)21-6-4-3-5-20(21)22/h3-15,25,27H,2H2,1H3
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n/an/a 4.13E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6


(Homo sapiens (Human))
BDBM48026
PNG
((NE)-4-ethyl-N-[3-(4-hydroxyanilino)-4-keto-1-naph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12 |w:11.11,t:14|
Show InChI InChI=1S/C24H20N2O4S/c1-2-16-7-13-19(14-8-16)31(29,30)26-22-15-23(25-17-9-11-18(27)12-10-17)24(28)21-6-4-3-5-20(21)22/h3-15,25,27H,2H2,1H3
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n/an/a>6.66E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM48026
PNG
((NE)-4-ethyl-N-[3-(4-hydroxyanilino)-4-keto-1-naph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12 |w:11.11,t:14|
Show InChI InChI=1S/C24H20N2O4S/c1-2-16-7-13-19(14-8-16)31(29,30)26-22-15-23(25-17-9-11-18(27)12-10-17)24(28)21-6-4-3-5-20(21)22/h3-15,25,27H,2H2,1H3
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n/an/a>1.00E+5n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair