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Compile Data Set for Download or QSAR

Found 11 hits of ic50 for monomerid = 61226   
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
Serine/threonine-protein phosphatase


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
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n/an/a 828n/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 (2010)


BindingDB Entry DOI: 10.7270/Q23T9FN4
More data for this
Ligand-Target Pair
SUMO-conjugating enzyme UBC9


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
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n/an/a 870n/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/Q2V986G8
More data for this
Ligand-Target Pair
Sentrin-specific protease 6


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
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n/an/a 3.48E+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 (2010)


BindingDB Entry DOI: 10.7270/Q27H1H10
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
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n/an/a 4.89E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2MS3R7H
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
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n/an/a 5.13E+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
SUMO-activating enzyme subunit 1


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
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n/an/a 5.71E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
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n/an/a 5.74E+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 (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
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n/an/a 7.71E+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
Serine/threonine-protein phosphatase PP1-alpha catalytic subunit


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
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n/an/a 6.70E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q27M06CD
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
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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 (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GZT
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
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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