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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 230.2
BDBM50435
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Wt: 151.2
BDBM87591
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Wt: 231.8
BDBM88811
Wt: 203.1
BDBM94930
Wt: 229.2
BDBM95032
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Wt: 181.1
BDBM94970
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Wt: 178.1
BDBM94945
Wt: 232.2
BDBM94981
Wt: 201.2
BDBM94917
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Wt: 234.1
BDBM94889
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Wt: 226.1
BDBM50393534
Wt: 199.1
BDBM50393530
Wt: 201.1
BDBM50393531
Wt: 202.1
BDBM50393532
Wt: 236.2
BDBM50393533
Displayed 1 to 15 (of 453 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 43 hits in this display   
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))
BDBM88811
PNG
((2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)...)
Show SMILES NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl
Show InChI InChI=1S/C5H2Cl4N2/c6-1-2(7)4(9)5(11-10)3(1)8/h10H2
PDB
MMDB

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n/an/a 1.45E+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 (2012)


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


(Homo sapiens (human))
BDBM88811
PNG
((2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)...)
Show SMILES NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl
Show InChI InChI=1S/C5H2Cl4N2/c6-1-2(7)4(9)5(11-10)3(1)8/h10H2
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n/an/a 1.99E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94981
PNG
(1-methyl-6H-pyrido[4,3-b]carbazole | MLS002920539 ...)
Show SMILES Cc1nccc2cc3[nH]c4ccccc4c3cc12
Show InChI InChI=1S/C16H12N2/c1-10-13-9-14-12-4-2-3-5-15(12)18-16(14)8-11(13)6-7-17-10/h2-9,18H,1H3
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n/an/a 2.59E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94981
PNG
(1-methyl-6H-pyrido[4,3-b]carbazole | MLS002920539 ...)
Show SMILES Cc1nccc2cc3[nH]c4ccccc4c3cc12
Show InChI InChI=1S/C16H12N2/c1-10-13-9-14-12-4-2-3-5-15(12)18-16(14)8-11(13)6-7-17-10/h2-9,18H,1H3
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n/an/a 3.18E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM88811
PNG
((2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)...)
Show SMILES NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl
Show InChI InChI=1S/C5H2Cl4N2/c6-1-2(7)4(9)5(11-10)3(1)8/h10H2
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n/an/a 7.19E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94945
PNG
(4-N,6-N-dimethyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-...)
Show SMILES CNc1nc(NC)c2c[nH]nc2n1
Show InChI InChI=1S/C7H10N6/c1-8-5-4-3-10-13-6(4)12-7(9-2)11-5/h3H,1-2H3,(H3,8,9,10,11,12,13)
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n/an/a 9.16E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94930
PNG
(MLS002693565 | N-(4-keto-1H-1,8-naphthyridin-2-yl)...)
Show SMILES CC(=O)Nc1cc(O)c2cccnc2n1
Show InChI InChI=1S/C10H9N3O2/c1-6(14)12-9-5-8(15)7-3-2-4-11-10(7)13-9/h2-5H,1H3,(H2,11,12,13,14,15)
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n/an/a 2.59E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50435
PNG
(2-amino-5-(4-amino-3-hydroxy-benzyl)phenol | 2-ami...)
Show SMILES Nc1ccc(Cc2ccc(N)c(O)c2)cc1O
Show InChI InChI=1S/C13H14N2O2/c14-10-3-1-8(6-12(10)16)5-9-2-4-11(15)13(17)7-9/h1-4,6-7,16-17H,5,14-15H2
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n/an/a 2.67E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens)
BDBM50435
PNG
(2-amino-5-(4-amino-3-hydroxy-benzyl)phenol | 2-ami...)
Show SMILES Nc1ccc(Cc2ccc(N)c(O)c2)cc1O
Show InChI InChI=1S/C13H14N2O2/c14-10-3-1-8(6-12(10)16)5-9-2-4-11(15)13(17)7-9/h1-4,6-7,16-17H,5,14-15H2
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n/an/a 2.70E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens)
BDBM50435
PNG
(2-amino-5-(4-amino-3-hydroxy-benzyl)phenol | 2-ami...)
Show SMILES Nc1ccc(Cc2ccc(N)c(O)c2)cc1O
Show InChI InChI=1S/C13H14N2O2/c14-10-3-1-8(6-12(10)16)5-9-2-4-11(15)13(17)7-9/h1-4,6-7,16-17H,5,14-15H2
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94945
PNG
(4-N,6-N-dimethyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-...)
Show SMILES CNc1nc(NC)c2c[nH]nc2n1
Show InChI InChI=1S/C7H10N6/c1-8-5-4-3-10-13-6(4)12-7(9-2)11-5/h3H,1-2H3,(H3,8,9,10,11,12,13)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM88811
PNG
((2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)...)
Show SMILES NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl
Show InChI InChI=1S/C5H2Cl4N2/c6-1-2(7)4(9)5(11-10)3(1)8/h10H2
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n/an/a 3.87E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94930
PNG
(MLS002693565 | N-(4-keto-1H-1,8-naphthyridin-2-yl)...)
Show SMILES CC(=O)Nc1cc(O)c2cccnc2n1
Show InChI InChI=1S/C10H9N3O2/c1-6(14)12-9-5-8(15)7-3-2-4-11-10(7)13-9/h2-5H,1H3,(H2,11,12,13,14,15)
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n/an/a 3.87E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM95032
PNG
(2-amino-7-(2-furanyl)-7,8-dihydro-6H-quinazolin-5-...)
Show SMILES Nc1ncc2C(=O)CC(Cc2n1)c1ccco1
Show InChI InChI=1S/C12H11N3O2/c13-12-14-6-8-9(15-12)4-7(5-10(8)16)11-2-1-3-17-11/h1-3,6-7H,4-5H2,(H2,13,14,15)
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n/an/a 4.05E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM87591
PNG
(2-(methylamino)-1-cyclohepta-2,4,6-trienethione | ...)
Show SMILES CNc1cccccc1=S
Show InChI InChI=1S/C8H9NS/c1-9-7-5-3-2-4-6-8(7)10/h2-6H,1H3,(H,9,10)
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n/an/a 4.90E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94981
PNG
(1-methyl-6H-pyrido[4,3-b]carbazole | MLS002920539 ...)
Show SMILES Cc1nccc2cc3[nH]c4ccccc4c3cc12
Show InChI InChI=1S/C16H12N2/c1-10-13-9-14-12-4-2-3-5-15(12)18-16(14)8-11(13)6-7-17-10/h2-9,18H,1H3
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n/an/a 5.25E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50435
PNG
(2-amino-5-(4-amino-3-hydroxy-benzyl)phenol | 2-ami...)
Show SMILES Nc1ccc(Cc2ccc(N)c(O)c2)cc1O
Show InChI InChI=1S/C13H14N2O2/c14-10-3-1-8(6-12(10)16)5-9-2-4-11(15)13(17)7-9/h1-4,6-7,16-17H,5,14-15H2
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n/an/a 5.40E+4n/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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM95032
PNG
(2-amino-7-(2-furanyl)-7,8-dihydro-6H-quinazolin-5-...)
Show SMILES Nc1ncc2C(=O)CC(Cc2n1)c1ccco1
Show InChI InChI=1S/C12H11N3O2/c13-12-14-6-8-9(15-12)4-7(5-10(8)16)11-2-1-3-17-11/h1-3,6-7H,4-5H2,(H2,13,14,15)
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n/an/a 5.68E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
poly(A) binding protein, cytoplasmic 1


(Homo sapiens)
BDBM87591
PNG
(2-(methylamino)-1-cyclohepta-2,4,6-trienethione | ...)
Show SMILES CNc1cccccc1=S
Show InChI InChI=1S/C8H9NS/c1-9-7-5-3-2-4-6-8(7)10/h2-6H,1H3,(H,9,10)
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n/an/a>6.60E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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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/Q2ZW1JJF
More data for this
Ligand-Target Pair
poly(A) binding protein, cytoplasmic 1


(Homo sapiens)
BDBM87591
PNG
(2-(methylamino)-1-cyclohepta-2,4,6-trienethione | ...)
Show SMILES CNc1cccccc1=S
Show InChI InChI=1S/C8H9NS/c1-9-7-5-3-2-4-6-8(7)10/h2-6H,1H3,(H,9,10)
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n/an/a>6.60E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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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/Q2V40ST1
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM87591
PNG
(2-(methylamino)-1-cyclohepta-2,4,6-trienethione | ...)
Show SMILES CNc1cccccc1=S
Show InChI InChI=1S/C8H9NS/c1-9-7-5-3-2-4-6-8(7)10/h2-6H,1H3,(H,9,10)
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n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94917
PNG
(2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione | MLS0...)
Show SMILES S=c1[nH]nc2ccc3ccccc3n12
Show InChI InChI=1S/C10H7N3S/c14-10-12-11-9-6-5-7-3-1-2-4-8(7)13(9)10/h1-6H,(H,12,14)
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n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94889
PNG
((4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine | ML...)
Show SMILES NNc1nc2c(Cl)ccc(Cl)c2s1
Show InChI InChI=1S/C7H5Cl2N3S/c8-3-1-2-4(9)6-5(3)11-7(12-10)13-6/h1-2H,10H2,(H,11,12)
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n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens)
BDBM88811
PNG
((2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)...)
Show SMILES NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl
Show InChI InChI=1S/C5H2Cl4N2/c6-1-2(7)4(9)5(11-10)3(1)8/h10H2
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Burnham Center for Chemical Genomics

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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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94970
PNG
(1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone | ...)
Show SMILES CNCC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens)
BDBM88811
PNG
((2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)...)
Show SMILES NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl
Show InChI InChI=1S/C5H2Cl4N2/c6-1-2(7)4(9)5(11-10)3(1)8/h10H2
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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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94889
PNG
((4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine | ML...)
Show SMILES NNc1nc2c(Cl)ccc(Cl)c2s1
Show InChI InChI=1S/C7H5Cl2N3S/c8-3-1-2-4(9)6-5(3)11-7(12-10)13-6/h1-2H,10H2,(H,11,12)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50435
PNG
(2-amino-5-(4-amino-3-hydroxy-benzyl)phenol | 2-ami...)
Show SMILES Nc1ccc(Cc2ccc(N)c(O)c2)cc1O
Show InChI InChI=1S/C13H14N2O2/c14-10-3-1-8(6-12(10)16)5-9-2-4-11(15)13(17)7-9/h1-4,6-7,16-17H,5,14-15H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94970
PNG
(1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone | ...)
Show SMILES CNCC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94917
PNG
(2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione | MLS0...)
Show SMILES S=c1[nH]nc2ccc3ccccc3n12
Show InChI InChI=1S/C10H7N3S/c14-10-12-11-9-6-5-7-3-1-2-4-8(7)13(9)10/h1-6H,(H,12,14)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94945
PNG
(4-N,6-N-dimethyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-...)
Show SMILES CNc1nc(NC)c2c[nH]nc2n1
Show InChI InChI=1S/C7H10N6/c1-8-5-4-3-10-13-6(4)12-7(9-2)11-5/h3H,1-2H3,(H3,8,9,10,11,12,13)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50393531
PNG
(CHEMBL2158216)
Show SMILES Nc1ccccc1CCP(O)(O)=O
Show InChI InChI=1S/C8H12NO3P/c9-8-4-2-1-3-7(8)5-6-13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
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n/an/a 2.50E+5n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human LMW-PTPase isoform 1


J Med Chem 55: 2-22 (2012)


Article DOI: 10.1021/jm200607g
BindingDB Entry DOI: 10.7270/Q2057H1N
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50393532
PNG
(CHEMBL2158219)
Show SMILES Nc1ccncc1CCP(O)(O)=O
Show InChI InChI=1S/C7H11N2O3P/c8-7-1-3-9-5-6(7)2-4-13(10,11)12/h1,3,5H,2,4H2,(H2,8,9)(H2,10,11,12)
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n/an/a 3.00E+5n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human LMW-PTPase isoform 1


J Med Chem 55: 2-22 (2012)


Article DOI: 10.1021/jm200607g
BindingDB Entry DOI: 10.7270/Q2057H1N
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (human))
BDBM94970
PNG
(1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone | ...)
Show SMILES CNCC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-serine as substrate by colorimetric assay


J Med Chem 56: 1894-907 (2013)


Article DOI: 10.1021/jm3017865
BindingDB Entry DOI: 10.7270/Q2H70H4P
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50393531
PNG
(CHEMBL2158216)
Show SMILES Nc1ccccc1CCP(O)(O)=O
Show InChI InChI=1S/C8H12NO3P/c9-8-4-2-1-3-7(8)5-6-13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
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n/an/a 1.40E+6n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human LMW-PTPase isoform 2


J Med Chem 55: 2-22 (2012)


Article DOI: 10.1021/jm200607g
BindingDB Entry DOI: 10.7270/Q2057H1N
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50393534
PNG
(CHEMBL2158220)
Show SMILES OP(O)(=O)CCc1cncc2cc[nH]c12
Show InChI InChI=1S/C9H11N2O3P/c12-15(13,14)4-2-8-6-10-5-7-1-3-11-9(7)8/h1,3,5-6,11H,2,4H2,(H2,12,13,14)
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n/an/a 1.79E+6n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human LMW-PTPase isoform 1


J Med Chem 55: 2-22 (2012)


Article DOI: 10.1021/jm200607g
BindingDB Entry DOI: 10.7270/Q2057H1N
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50393532
PNG
(CHEMBL2158219)
Show SMILES Nc1ccncc1CCP(O)(O)=O
Show InChI InChI=1S/C7H11N2O3P/c8-7-1-3-9-5-6(7)2-4-13(10,11)12/h1,3,5H,2,4H2,(H2,8,9)(H2,10,11,12)
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n/an/a 2.21E+6n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human LMW-PTPase isoform 2


J Med Chem 55: 2-22 (2012)


Article DOI: 10.1021/jm200607g
BindingDB Entry DOI: 10.7270/Q2057H1N
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50393534
PNG
(CHEMBL2158220)
Show SMILES OP(O)(=O)CCc1cncc2cc[nH]c12
Show InChI InChI=1S/C9H11N2O3P/c12-15(13,14)4-2-8-6-10-5-7-1-3-11-9(7)8/h1,3,5-6,11H,2,4H2,(H2,12,13,14)
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n/an/a 2.76E+6n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human LMW-PTPase isoform 2


J Med Chem 55: 2-22 (2012)


Article DOI: 10.1021/jm200607g
BindingDB Entry DOI: 10.7270/Q2057H1N
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50393530
PNG
(CHEMBL2158217)
Show SMILES Nc1ccccc1\C=C\P(O)(O)=O
Show InChI InChI=1S/C8H10NO3P/c9-8-4-2-1-3-7(8)5-6-13(10,11)12/h1-6H,9H2,(H2,10,11,12)/b6-5+
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n/an/a 5.30E+6n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human LMW-PTPase isoform 1


J Med Chem 55: 2-22 (2012)


Article DOI: 10.1021/jm200607g
BindingDB Entry DOI: 10.7270/Q2057H1N
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50393533
PNG
(CHEMBL2158218)
Show SMILES OP(O)(=O)CCc1cccc2ccccc12
Show InChI InChI=1S/C12H13O3P/c13-16(14,15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H2,13,14,15)
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University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human LMW-PTPase isoform 2


J Med Chem 55: 2-22 (2012)


Article DOI: 10.1021/jm200607g
BindingDB Entry DOI: 10.7270/Q2057H1N
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50393530
PNG
(CHEMBL2158217)
Show SMILES Nc1ccccc1\C=C\P(O)(O)=O
Show InChI InChI=1S/C8H10NO3P/c9-8-4-2-1-3-7(8)5-6-13(10,11)12/h1-6H,9H2,(H2,10,11,12)/b6-5+
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University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human LMW-PTPase isoform 2


J Med Chem 55: 2-22 (2012)


Article DOI: 10.1021/jm200607g
BindingDB Entry DOI: 10.7270/Q2057H1N
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50393533
PNG
(CHEMBL2158218)
Show SMILES OP(O)(=O)CCc1cccc2ccccc12
Show InChI InChI=1S/C12H13O3P/c13-16(14,15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H2,13,14,15)
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n/an/a 1.40E+7n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human LMW-PTPase isoform 1


J Med Chem 55: 2-22 (2012)


Article DOI: 10.1021/jm200607g
BindingDB Entry DOI: 10.7270/Q2057H1N
More data for this
Ligand-Target Pair
SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 2, isoform CRA_a


(Homo sapiens)
BDBM94981
PNG
(1-methyl-6H-pyrido[4,3-b]carbazole | MLS002920539 ...)
Show SMILES Cc1nccc2cc3[nH]c4ccccc4c3cc12
Show InChI InChI=1S/C16H12N2/c1-10-13-9-14-12-4-2-3-5-15(12)18-16(14)8-11(13)6-7-17-10/h2-9,18H,1H3
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n/an/an/an/a 5.87E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GF0S4R
More data for this
Ligand-Target Pair