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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for monomerid = 88813   
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 11


(Homo sapiens (Human))
BDBM88813
PNG
(Benzo[1,3]dioxole-5-carboxylic acid (5-chloro-2-hy...)
Show SMILES COc1cc(Cl)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O |w:9.9|
Show InChI InChI=1S/C16H13ClN2O5/c1-22-14-6-11(17)4-10(15(14)20)7-18-19-16(21)9-2-3-12-13(5-9)24-8-23-12/h2-7,20H,8H2,1H3,(H,19,21)
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n/an/a 4.16E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2T43RPN
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM88813
PNG
(Benzo[1,3]dioxole-5-carboxylic acid (5-chloro-2-hy...)
Show SMILES COc1cc(Cl)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O |w:9.9|
Show InChI InChI=1S/C16H13ClN2O5/c1-22-14-6-11(17)4-10(15(14)20)7-18-19-16(21)9-2-3-12-13(5-9)24-8-23-12/h2-7,20H,8H2,1H3,(H,19,21)
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n/an/a 5.02E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2959G44
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM88813
PNG
(Benzo[1,3]dioxole-5-carboxylic acid (5-chloro-2-hy...)
Show SMILES COc1cc(Cl)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O |w:9.9|
Show InChI InChI=1S/C16H13ClN2O5/c1-22-14-6-11(17)4-10(15(14)20)7-18-19-16(21)9-2-3-12-13(5-9)24-8-23-12/h2-7,20H,8H2,1H3,(H,19,21)
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n/an/a 9.73E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
26S proteasome non-ATPase regulatory subunit 14


(Homo sapiens (Human))
BDBM88813
PNG
(Benzo[1,3]dioxole-5-carboxylic acid (5-chloro-2-hy...)
Show SMILES COc1cc(Cl)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O |w:9.9|
Show InChI InChI=1S/C16H13ClN2O5/c1-22-14-6-11(17)4-10(15(14)20)7-18-19-16(21)9-2-3-12-13(5-9)24-8-23-12/h2-7,20H,8H2,1H3,(H,19,21)
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n/an/a 2.15E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))
BDBM88813
PNG
(Benzo[1,3]dioxole-5-carboxylic acid (5-chloro-2-hy...)
Show SMILES COc1cc(Cl)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O |w:9.9|
Show InChI InChI=1S/C16H13ClN2O5/c1-22-14-6-11(17)4-10(15(14)20)7-18-19-16(21)9-2-3-12-13(5-9)24-8-23-12/h2-7,20H,8H2,1H3,(H,19,21)
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n/an/a 2.33E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2KH0KWR
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM88813
PNG
(Benzo[1,3]dioxole-5-carboxylic acid (5-chloro-2-hy...)
Show SMILES COc1cc(Cl)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O |w:9.9|
Show InChI InChI=1S/C16H13ClN2O5/c1-22-14-6-11(17)4-10(15(14)20)7-18-19-16(21)9-2-3-12-13(5-9)24-8-23-12/h2-7,20H,8H2,1H3,(H,19,21)
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n/an/a 6.56E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM88813
PNG
(Benzo[1,3]dioxole-5-carboxylic acid (5-chloro-2-hy...)
Show SMILES COc1cc(Cl)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O |w:9.9|
Show InChI InChI=1S/C16H13ClN2O5/c1-22-14-6-11(17)4-10(15(14)20)7-18-19-16(21)9-2-3-12-13(5-9)24-8-23-12/h2-7,20H,8H2,1H3,(H,19,21)
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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 (2012)


BindingDB Entry DOI: 10.7270/Q2FQ9V6B
More data for this
Ligand-Target Pair