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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 65974   
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))
BDBM65974
PNG
(3-[(5E)-5-[4-(4-chlorobenzyl)oxy-3-methoxy-benzyli...)
Show SMILES COc1cc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(O)=O)ccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H18ClNO5S2/c1-31-21-11-16(7-10-20(21)32-14-15-5-8-18(26)9-6-15)12-22-23(28)27(25(33)34-22)19-4-2-3-17(13-19)24(29)30/h2-13H,14H2,1H3,(H,29,30)/b22-12+
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n/an/a 394n/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/Q2BR8QNJ
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A


(Homo sapiens (Human))
BDBM65974
PNG
(3-[(5E)-5-[4-(4-chlorobenzyl)oxy-3-methoxy-benzyli...)
Show SMILES COc1cc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(O)=O)ccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H18ClNO5S2/c1-31-21-11-16(7-10-20(21)32-14-15-5-8-18(26)9-6-15)12-22-23(28)27(25(33)34-22)19-4-2-3-17(13-19)24(29)30/h2-13H,14H2,1H3,(H,29,30)/b22-12+
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n/an/a 953n/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/Q28G8J5T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM65974
PNG
(3-[(5E)-5-[4-(4-chlorobenzyl)oxy-3-methoxy-benzyli...)
Show SMILES COc1cc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(O)=O)ccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H18ClNO5S2/c1-31-21-11-16(7-10-20(21)32-14-15-5-8-18(26)9-6-15)12-22-23(28)27(25(33)34-22)19-4-2-3-17(13-19)24(29)30/h2-13H,14H2,1H3,(H,29,30)/b22-12+
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n/an/a 3.06E+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/Q2QZ28FP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM65974
PNG
(3-[(5E)-5-[4-(4-chlorobenzyl)oxy-3-methoxy-benzyli...)
Show SMILES COc1cc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(O)=O)ccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H18ClNO5S2/c1-31-21-11-16(7-10-20(21)32-14-15-5-8-18(26)9-6-15)12-22-23(28)27(25(33)34-22)19-4-2-3-17(13-19)24(29)30/h2-13H,14H2,1H3,(H,29,30)/b22-12+
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n/an/a 3.49E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M9073J
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM65974
PNG
(3-[(5E)-5-[4-(4-chlorobenzyl)oxy-3-methoxy-benzyli...)
Show SMILES COc1cc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(O)=O)ccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H18ClNO5S2/c1-31-21-11-16(7-10-20(21)32-14-15-5-8-18(26)9-6-15)12-22-23(28)27(25(33)34-22)19-4-2-3-17(13-19)24(29)30/h2-13H,14H2,1H3,(H,29,30)/b22-12+
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n/an/a 3.68E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B56H6M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM65974
PNG
(3-[(5E)-5-[4-(4-chlorobenzyl)oxy-3-methoxy-benzyli...)
Show SMILES COc1cc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(O)=O)ccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H18ClNO5S2/c1-31-21-11-16(7-10-20(21)32-14-15-5-8-18(26)9-6-15)12-22-23(28)27(25(33)34-22)19-4-2-3-17(13-19)24(29)30/h2-13H,14H2,1H3,(H,29,30)/b22-12+
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n/an/a 4.04E+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/Q26H4FVR
More data for this
Ligand-Target Pair