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PubChem AID 606

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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 22


(Homo sapiens (Human))
BDBM31756
PNG
(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O
Show InChI InChI=1S/C15H17NO2/c1-8-6-7-12-10-4-3-5-11(10)14(15(17)18)16-13(12)9(8)2/h3-4,6-7,10-11,14,16H,5H2,1-2H3,(H,17,18)
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n/an/a 940n/an/an/an/an/an/a



Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
LYP, a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling, is encoded by the PTPN22 ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z899TZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM31040
PNG
(1-Ethyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
Show InChI InChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
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n/an/a 1.66E+3n/an/an/an/an/an/a



Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
LYP, a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling, is encoded by the PTPN22 ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z899TZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM35364
PNG
(MLS000079944 | SMR000040944 | cid_659878)
Show SMILES COc1ccc(Cn2c(C)nc3n(Cc4ccco4)c4nc5ccccc5nc4c3c2=O)cc1
Show InChI InChI=1S/C26H21N5O3/c1-16-27-24-22(26(32)30(16)14-17-9-11-18(33-2)12-10-17)23-25(31(24)15-19-6-5-13-34-19)29-21-8-4-3-7-20(21)28-23/h3-13H,14-15H2,1-2H3
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n/an/a 1.78E+3n/an/an/an/an/an/a



Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
LYP, a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling, is encoded by the PTPN22 ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z899TZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM35379
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-ami...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C25H24N4O6/c1-14(2)12-29-22(26)21(23(31)28(3)25(29)33)19(30)13-35-24(32)16-11-18(20-9-6-10-34-20)27-17-8-5-4-7-15(16)17/h4-11,14H,12-13,26H2,1-3H3
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n/an/a 5.81E+3n/an/an/an/an/an/a



Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
LYP, a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling, is encoded by the PTPN22 ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z899TZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM34230
PNG
((Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-ke...)
Show SMILES CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12?/t16-,17-,18+/m0/s1
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n/an/a 6.69E+3n/an/an/an/an/an/a



Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
LYP, a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling, is encoded by the PTPN22 ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z899TZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a>4.00E+4n/an/an/an/an/an/a



Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
LYP, a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling, is encoded by the PTPN22 ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z899TZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%