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Compile Data Set for Download or QSAR

Found 14 hits of ic50 for monomerid = 30722   
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
SUMO-conjugating enzyme UBC9


(Homo sapiens (Human))
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a 890n/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))
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a 986n/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))
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a 1.99E+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
SUMO-activating enzyme subunit 1


(Homo sapiens (Human))
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a 2.82E+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))
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a 4.76E+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
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a>5.00E+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/Q2C827R9
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a 6.15E+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
Caspase-9


(Homo sapiens (Human))
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a 1.20E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a 1.22E+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/Q2RJ4GZT
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a 1.37E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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US Patent
n/an/a 2.00E+4n/an/an/an/an/an/a



City of Hope; Sanford-Burnham Medical Research Institute

US Patent


Assay Description
Through the Molecular Library Probe Production Center Network (MLPCN), at least 300,000 compounds were screened using a TR-FRET method, an ALPHASCREE...


US Patent US9045483 (2015)


BindingDB Entry DOI: 10.7270/Q20R9N48
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a>5.00E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a>5.00E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2513WMG
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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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