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Compile Data Set for Download or QSAR

Found 22 hits of ic50 for monomerid = 31734   
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
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 280n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2RJ4GWX
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 997n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 3.66E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Heat shock 70 kDa protein 1A


(Homo sapiens (Human))
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 5.56E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S75DRW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 7.45E+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/Q2474894
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 9.90E+3n/an/an/an/a7.023



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2N87841
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-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/Q2W66J6B
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4 gamma 1


(Homo sapiens (Human))
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 1.42E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 1.47E+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 (2008)


BindingDB Entry DOI: 10.7270/Q25H7DPX
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 1.58E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 1.82E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment Cdc25B Dose Response Selectivity Assay has been developed to evaluate the PT...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2125R2H
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q20G3HKD
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 3.27E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2VH5M71
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 3.27E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhi...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q20863PV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 3.28E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibit...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2QR4VH9
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2M043S8
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibit...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2G73C2Z
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(Homo sapiens (Human))
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 9.54E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair