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PubChem AID 652006

Compile data set for download or QSAR
Found 71 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))
BDBM66141
PNG
(5-Nitro-furan-2-carboxylic acid [2-(2-fluoro-pheny...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc2oc(nc2c1)-c1ccccc1F
Show InChI InChI=1S/C18H10FN3O5/c19-12-4-2-1-3-11(12)18-21-13-9-10(5-6-14(13)27-18)20-17(23)15-7-8-16(26-15)22(24)25/h1-9H,(H,20,23)
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n/an/a 7.64E+3n/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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM61719
PNG
(2-[5-carbethoxy-3-(4-morpholinophenyl)pyrazol-1-yl...)
Show SMILES CCOC(=O)c1cc(nn1-c1ccccc1C(O)=O)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C23H23N3O5/c1-2-31-23(29)21-15-19(24-26(21)20-6-4-3-5-18(20)22(27)28)16-7-9-17(10-8-16)25-11-13-30-14-12-25/h3-10,15H,2,11-14H2,1H3,(H,27,28)
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n/an/a 8.42E+3n/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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM88749
PNG
(4-hydroxy-N-[(E)-[4-[2-(3-nitroanilino)-2-oxoethox...)
Show SMILES Oc1ccc(cc1)C(=O)N\N=C\c1ccc(OCC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H18N4O6/c27-19-8-6-16(7-9-19)22(29)25-23-13-15-4-10-20(11-5-15)32-14-21(28)24-17-2-1-3-18(12-17)26(30)31/h1-13,27H,14H2,(H,24,28)(H,25,29)/b23-13+
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n/an/a 1.16E+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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46214
PNG
(2-[4-[[5-(4-chlorophenyl)-6-ethoxycarbonyl-7-methy...)
Show SMILES CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN2O6S/c1-3-33-24(32)21-14(2)27-25-28(22(21)16-6-8-17(26)9-7-16)23(31)19(35-25)12-15-4-10-18(11-5-15)34-13-20(29)30/h4-12,22H,3,13H2,1-2H3,(H,29,30)
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n/an/a 1.20E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM82935
PNG
(4-[3-(5-Benzo[1,3]dioxol-5-ylmethylene-4-oxo-2-thi...)
Show SMILES OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
Show InChI InChI=1S/C21H16N2O6S2/c24-18(22-14-4-2-13(3-5-14)20(26)27)7-8-23-19(25)17(31-21(23)30)10-12-1-6-15-16(9-12)29-11-28-15/h1-6,9-10H,7-8,11H2,(H,22,24)(H,26,27)/b17-10-
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n/an/a 1.29E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM88926
PNG
(4-[[3-[4-[oxo-[(2E)-2-(1-pyridin-4-ylethylidene)hy...)
Show SMILES CC(=NNC(=O)c1ccc(OC2OCCOC2Oc2ccc(cc2)C(=O)NN=C(C)c2ccncc2)cc1)c1ccncc1
Show InChI InChI=1S/C32H30N6O6/c1-21(23-11-15-33-16-12-23)35-37-29(39)25-3-7-27(8-4-25)43-31-32(42-20-19-41-31)44-28-9-5-26(6-10-28)30(40)38-36-22(2)24-13-17-34-18-14-24/h3-18,31-32H,19-20H2,1-2H3,(H,37,39)(H,38,40)
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n/an/a 1.36E+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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50303175
PNG
(2-(5-((3-(4-(benzyloxy)phenyl)-1-phenyl-1H-pyrazol...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H23N3O5S3/c32-27-25(38-28(37)30(27)15-16-39(33,34)35)17-22-18-31(23-9-5-2-6-10-23)29-26(22)21-11-13-24(14-12-21)36-19-20-7-3-1-4-8-20/h1-14,17-18H,15-16,19H2,(H,33,34,35)/b25-17-
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46213
PNG
(2-[4-[[6-carbethoxy-3-keto-7-methyl-5-[4-(methylth...)
Show SMILES CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(SC)cc1
Show InChI InChI=1S/C26H24N2O6S2/c1-4-33-25(32)22-15(2)27-26-28(23(22)17-7-11-19(35-3)12-8-17)24(31)20(36-26)13-16-5-9-18(10-6-16)34-14-21(29)30/h5-13,23H,4,14H2,1-3H3,(H,29,30)
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n/an/a 1.62E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM88739
PNG
(MLS000704210 | N'-[(5-bromo-2-thienyl)methylen...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccc(Br)s1
Show InChI InChI=1S/C12H8BrN3O3S/c13-11-5-4-10(20-11)7-14-15-12(17)8-2-1-3-9(6-8)16(18)19/h1-7H,(H,15,17)/b14-7+
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n/an/a 1.82E+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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM82945
PNG
(3-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxidanylidene...)
Show SMILES Cc1c(CCC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Cl)cc4)c3cc12
Show InChI InChI=1S/C22H17ClO5/c1-11-15(7-8-19(24)25)22(26)28-21-12(2)20-17(9-16(11)21)18(10-27-20)13-3-5-14(23)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,24,25)
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n/an/a 2.24E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94977
PNG
(4-N-(3,4-dimethoxyphenyl)-2-N-(thiophen-2-ylmethyl...)
Show SMILES COc1ccc(Nc2nc(NCc3cccs3)nc3ccsc23)cc1OC
Show InChI InChI=1S/C19H18N4O2S2/c1-24-15-6-5-12(10-16(15)25-2)21-18-17-14(7-9-27-17)22-19(23-18)20-11-13-4-3-8-26-13/h3-10H,11H2,1-2H3,(H2,20,21,22,23)
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n/an/a 2.27E+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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM51775
PNG
(2-[2-[(N''E)-N''-[4-(2,4-dichlorobenzyl)oxy-3-etho...)
Show SMILES CCOc1cc(CN=Nc2nc(O)c(CC(O)=O)s2)ccc1OCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H19Cl2N3O5S/c1-2-30-17-7-12(10-24-26-21-25-20(29)18(32-21)9-19(27)28)3-6-16(17)31-11-13-4-5-14(22)8-15(13)23/h3-8,29H,2,9-11H2,1H3,(H,27,28)
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n/an/a 2.29E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94904
PNG
(Benzo[1,3]dioxole-5-carboxylic acid [3-(4-bromo-ph...)
Show SMILES Brc1ccc(\C=C\C=N/NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C17H13BrN2O3/c18-14-6-3-12(4-7-14)2-1-9-19-20-17(21)13-5-8-15-16(10-13)23-11-22-15/h1-10H,11H2,(H,20,21)/b2-1+,19-9-
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n/an/a 2.35E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM95022
PNG
(3-[4-[(3aR,9bR)-9-methoxy-3,3a,4,9b-tetrahydro-1H-...)
Show SMILES COc1cccc2OC[C@H]3CN(CCCCn4c(=O)[nH]c5c6nc(cnc6sc5c4=O)-c4ccccc4)C[C@H]3c12
Show InChI InChI=1S/C30H29N5O4S/c1-38-22-10-7-11-23-24(22)20-16-34(15-19(20)17-39-23)12-5-6-13-35-29(36)27-25(33-30(35)37)26-28(40-27)31-14-21(32-26)18-8-3-2-4-9-18/h2-4,7-11,14,19-20H,5-6,12-13,15-17H2,1H3,(H,33,37)/t19-,20-/m1/s1
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM88727
PNG
(2-thiophenecarboxylic acid [4-[(E)-[[(3-fluorophen...)
Show SMILES Fc1cccc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2cccs2)cc1
Show InChI InChI=1S/C19H13FN2O3S/c20-15-4-1-3-14(11-15)18(23)22-21-12-13-6-8-16(9-7-13)25-19(24)17-5-2-10-26-17/h1-12H,(H,22,23)/b21-12+
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94944
PNG
(5-[[1-(2-furanylmethyl)-4-triazolyl]methyl]-3-meth...)
Show SMILES CC1N(Cc2ccc(cc2)-c2cccnc2)S(=O)(=O)CCN(Cc2cn(Cc3ccco3)nn2)C1=O
Show InChI InChI=1S/C25H26N6O4S/c1-19-25(32)29(16-23-17-30(28-27-23)18-24-5-3-12-35-24)11-13-36(33,34)31(19)15-20-6-8-21(9-7-20)22-4-2-10-26-14-22/h2-10,12,14,17,19H,11,13,15-16,18H2,1H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM82682
PNG
(MLS000546589 | N'-(3-chlorobenzoyl)thieno[2,3-...)
Show SMILES Clc1cccc(c1)C(=O)NNC(=O)c1cc2cc3ccccc3nc2s1
Show InChI InChI=1S/C19H12ClN3O2S/c20-14-6-3-5-12(9-14)17(24)22-23-18(25)16-10-13-8-11-4-1-2-7-15(11)21-19(13)26-16/h1-10H,(H,22,24)(H,23,25)
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n/an/a 2.68E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94972
PNG
(MLS000113964 | N-[4-[4-[4-(cyclopentylamino)quinaz...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(NC2CCCC2)c2ccccc2n1
Show InChI InChI=1S/C25H30N6O3S/c1-18(32)26-20-10-12-21(13-11-20)35(33,34)31-16-14-30(15-17-31)25-28-23-9-5-4-8-22(23)24(29-25)27-19-6-2-3-7-19/h4-5,8-13,19H,2-3,6-7,14-17H2,1H3,(H,26,32)(H,27,28,29)
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n/an/a 2.82E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM82821
PNG
((E)-3-(2-chlorophenyl)-N-(1,3-diketoisoindolin-5-y...)
Show SMILES Clc1ccccc1\C=C\C(=O)Nc1ccc2C(=O)NC(=O)c2c1
Show InChI InChI=1S/C17H11ClN2O3/c18-14-4-2-1-3-10(14)5-8-15(21)19-11-6-7-12-13(9-11)17(23)20-16(12)22/h1-9H,(H,19,21)(H,20,22,23)/b8-5+
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n/an/a 2.90E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM82970
PNG
(4-(1-benzofuran-2-yl)-6-hydroxy-7-methylchromen-2-...)
Show SMILES Cc1cc2oc(=O)cc(-c3cc4ccccc4o3)c2cc1O
Show InChI InChI=1S/C18H12O4/c1-10-6-16-12(8-14(10)19)13(9-18(20)22-16)17-7-11-4-2-3-5-15(11)21-17/h2-9,19H,1H3
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n/an/a 2.91E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94902
PNG
(2-N-(cyclopropylmethyl)-4-N-[(2,3-dimethoxyphenyl)...)
Show SMILES COc1cccc(CNc2nc(NCC3CC3)nc3ccsc23)c1OC
Show InChI InChI=1S/C19H22N4O2S/c1-24-15-5-3-4-13(16(15)25-2)11-20-18-17-14(8-9-26-17)22-19(23-18)21-10-12-6-7-12/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H2,20,21,22,23)
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n/an/a 3.33E+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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM95040
PNG
(4-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazinyl]-2...)
Show SMILES Cc1cc(N2CCN(CC2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2n1
Show InChI InChI=1S/C20H19Cl2N3O2S/c1-14-12-20(16-4-2-3-5-19(16)23-14)24-8-10-25(11-9-24)28(26,27)15-6-7-17(21)18(22)13-15/h2-7,12-13H,8-11H2,1H3
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n/an/a 3.58E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94963
PNG
(1-phenylethyl-(2-piperazinoquinazolin-4-yl)amine |...)
Show SMILES CC(Nc1nc(nc2ccccc12)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C20H23N5/c1-15(16-7-3-2-4-8-16)22-19-17-9-5-6-10-18(17)23-20(24-19)25-13-11-21-12-14-25/h2-10,15,21H,11-14H2,1H3,(H,22,23,24)
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50197
PNG
(MLS000558757 | N-[(E)-[5-(4-methoxy-2-nitro-phenyl...)
Show SMILES COc1ccc(-c2ccc([CH+][N-]NC(=O)c3cccnc3)o2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H14N4O5/c1-26-13-4-6-15(16(9-13)22(24)25)17-7-5-14(27-17)11-20-21-18(23)12-3-2-8-19-10-12/h2-11H,1H3,(H,21,23)
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94966
PNG
(4-bromanyl-N-[(E)-(3-bromophenyl)methylideneamino]...)
Show SMILES Brc1ccc(cc1)C(=O)N\N=C\c1cccc(Br)c1
Show InChI InChI=1S/C14H10Br2N2O/c15-12-6-4-11(5-7-12)14(19)18-17-9-10-2-1-3-13(16)8-10/h1-9H,(H,18,19)/b17-9+
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94890
PNG
(1,3-Dimethyl-5,6-dinitro-2-[3-(1,3,3-trimethyl-1,3...)
Show SMILES CN1\C(=C\C=C\c2n(C)c3cc(c(cc3[n+]2C)[N+]([O-])=O)[N+]([O-])=O)C(C)(C)c2ccccc12
Show InChI InChI=1S/C23H24N5O4/c1-23(2)15-9-6-7-10-16(15)24(3)21(23)11-8-12-22-25(4)17-13-19(27(29)30)20(28(31)32)14-18(17)26(22)5/h6-14H,1-5H3/q+1
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM76528
PNG
(MLS000676625 | N-[(E)-3-(4-bromophenyl)-1-oxoprop-...)
Show SMILES Oc1ccccc1C(=O)NC(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C16H12BrNO3/c17-12-8-5-11(6-9-12)7-10-15(20)18-16(21)13-3-1-2-4-14(13)19/h1-10,19H,(H,18,20,21)/b10-7+
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94914
PNG
(MLS003123031 | N-[4-[[[2-(2-thenylamino)thieno[3,2...)
Show SMILES CC(=O)Nc1ccc(CNc2nc(NCc3cccs3)nc3ccsc23)cc1
Show InChI InChI=1S/C20H19N5OS2/c1-13(26)23-15-6-4-14(5-7-15)11-21-19-18-17(8-10-28-18)24-20(25-19)22-12-16-3-2-9-27-16/h2-10H,11-12H2,1H3,(H,23,26)(H2,21,22,24,25)
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94948
PNG
(MLS003123024 | N-[4-[[[2-(o-anisylamino)thieno[3,2...)
Show SMILES COc1ccccc1CNc1nc(NCc2ccc(NC(C)=O)cc2)c2sccc2n1
Show InChI InChI=1S/C23H23N5O2S/c1-15(29)26-18-9-7-16(8-10-18)13-24-22-21-19(11-12-31-21)27-23(28-22)25-14-17-5-3-4-6-20(17)30-2/h3-12H,13-14H2,1-2H3,(H,26,29)(H2,24,25,27,28)
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM43091
PNG
(2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-su...)
Show SMILES CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O
Show InChI InChI=1S/C20H16ClN3O5S3/c1-2-29-16(25)10-24-13-8-7-11(32(22,27)28)9-15(13)31-20(24)23-19(26)18-17(21)12-5-3-4-6-14(12)30-18/h3-9H,2,10H2,1H3,(H2,22,27,28)/b23-20-
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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
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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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94898
PNG
(MLS002252586 | N-[2-(4-sulfamoylphenyl)ethyl]-6-qu...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3nccnc3c2)cc1
Show InChI InChI=1S/C17H16N4O3S/c18-25(23,24)14-4-1-12(2-5-14)7-8-21-17(22)13-3-6-15-16(11-13)20-10-9-19-15/h1-6,9-11H,7-8H2,(H,21,22)(H2,18,23,24)
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM83162
PNG
(2-[5-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triaz...)
Show SMILES NC(=O)Cc1ccc(s1)C(=O)CSc1nnc(-c2ccncc2)n1C1CC1
Show InChI InChI=1S/C18H17N5O2S2/c19-16(25)9-13-3-4-15(27-13)14(24)10-26-18-22-21-17(23(18)12-1-2-12)11-5-7-20-8-6-11/h3-8,12H,1-2,9-10H2,(H2,19,25)
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM35730
PNG
(cid_694792 | sulfonamide deriv., 5e)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C13H14N2O3S2/c14-20(17,18)12-5-3-10(4-6-12)9-15-13(16)8-11-2-1-7-19-11/h1-7H,8-9H2,(H,15,16)(H2,14,17,18)
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94922
PNG
(2-[(4-{[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl...)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)c1ccc(CSc2nc3ccncc3[nH]2)cc1
Show InChI InChI=1S/C25H25N5O2S/c1-32-21-4-2-3-20(15-21)29-11-13-30(14-12-29)24(31)19-7-5-18(6-8-19)17-33-25-27-22-9-10-26-16-23(22)28-25/h2-10,15-16H,11-14,17H2,1H3,(H,27,28)
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94879
PNG
(3-morpholinopropyl-(2-phenylquinazolin-4-yl)amine ...)
Show SMILES C(CNc1nc(nc2ccccc12)-c1ccccc1)CN1CCOCC1
Show InChI InChI=1S/C21H24N4O/c1-2-7-17(8-3-1)20-23-19-10-5-4-9-18(19)21(24-20)22-11-6-12-25-13-15-26-16-14-25/h1-5,7-10H,6,11-16H2,(H,22,23,24)
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94910
PNG
(2-phenyl-4-(1-piperidinyl)quinoline | 2-phenyl-4-p...)
Show SMILES C1CCN(CC1)c1cc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H20N2/c1-3-9-16(10-4-1)19-15-20(22-13-7-2-8-14-22)17-11-5-6-12-18(17)21-19/h1,3-6,9-12,15H,2,7-8,13-14H2
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94946
PNG
(2-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quina...)
Show SMILES Fc1ccccc1-c1nc(NCCCN2CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C21H23FN4O/c22-18-8-3-1-6-16(18)21-24-19-9-4-2-7-17(19)20(25-21)23-10-5-11-26-12-14-27-15-13-26/h1-4,6-9H,5,10-15H2,(H,23,24,25)
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94956
PNG
(3-[(2,6-dichlorophenyl)methyl]-N-(2-furanylmethyl)...)
Show SMILES Clc1cccc(Cl)c1Cn1cnc(NCc2ccco2)c2ncnc12
Show InChI InChI=1S/C17H13Cl2N5O/c18-13-4-1-5-14(19)12(13)8-24-10-23-16(15-17(24)22-9-21-15)20-7-11-3-2-6-25-11/h1-6,9-10,20H,7-8H2
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM95026
PNG
(2-[(2-phenylquinazolin-4-yl)amino]ethyl pyridine-4...)
Show SMILES O=C(OCCNc1nc(nc2ccccc12)-c1ccccc1)c1ccncc1
Show InChI InChI=1S/C22H18N4O2/c27-22(17-10-12-23-13-11-17)28-15-14-24-21-18-8-4-5-9-19(18)25-20(26-21)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,25,26)
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM73701
PNG
(2,6-diamino-5-(2,4-dichlorobenzyl)-4-pyrimidinylam...)
Show SMILES Nc1nc(N)c(Cc2ccc(Cl)cc2Cl)c(N)n1
Show InChI InChI=1S/C11H11Cl2N5/c12-6-2-1-5(8(13)4-6)3-7-9(14)17-11(16)18-10(7)15/h1-2,4H,3H2,(H6,14,15,16,17,18)
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM18512
PNG
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
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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
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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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94892
PNG
(5-(3-azido-4-chloranyl-phenyl)-6-ethyl-pyrimidine-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)N=[N+]=[N-]
Show InChI InChI=1S/C12H12ClN7/c1-2-8-10(11(14)18-12(15)17-8)6-3-4-7(13)9(5-6)19-20-16/h3-5H,2H2,1H3,(H4,14,15,17,18)
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM48331
PNG
(2-azanylidene-N-(1,3-benzodioxol-5-ylmethyl)-5-oxi...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1cccnc1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C26H20N6O4/c27-23-18(25(33)29-13-16-6-7-20-21(10-16)36-15-35-20)11-19-24(32(23)14-17-4-3-8-28-12-17)30-22-5-1-2-9-31(22)26(19)34/h1-12,27H,13-15H2,(H,29,33)
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM40246
PNG
(3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoic acid |...)
Show SMILES CCN(c1ccccc1)S(=O)(=O)c1cc(ccc1C)C(O)=O
Show InChI InChI=1S/C16H17NO4S/c1-3-17(14-7-5-4-6-8-14)22(20,21)15-11-13(16(18)19)10-9-12(15)2/h4-11H,3H2,1-2H3,(H,18,19)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM95049
PNG
((3-Morpholin-4-yl-propyl)-(2-m-tolyl-quinazolin-4-...)
Show SMILES Cc1cccc(c1)-c1nc(NCCCN2CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C22H26N4O/c1-17-6-4-7-18(16-17)21-24-20-9-3-2-8-19(20)22(25-21)23-10-5-11-26-12-14-27-15-13-26/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,24,25)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50033327
PNG
((2-Phenyl-quinazolin-4-yl)-pyridin-3-ylmethyl-amin...)
Show SMILES C(Nc1nc(nc2ccccc12)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C20H16N4/c1-2-8-16(9-3-1)19-23-18-11-5-4-10-17(18)20(24-19)22-14-15-7-6-12-21-13-15/h1-13H,14H2,(H,22,23,24)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94916
PNG
(4-methyl-2-(4-methyl-1-piperidinyl)-1H-quinolin-5-...)
Show SMILES CC1CCN(CC1)c1cc(C)c2c(cccc2=O)[nH]1
Show InChI InChI=1S/C16H20N2O/c1-11-6-8-18(9-7-11)15-10-12(2)16-13(17-15)4-3-5-14(16)19/h3-5,10-11,17H,6-9H2,1-2H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94937
PNG
(4-methyl-2-(2-methylanilino)-1H-quinolin-5-one | 4...)
Show SMILES Cc1ccccc1Nc1cc(C)c2c(cccc2=O)[nH]1
Show InChI InChI=1S/C17H16N2O/c1-11-6-3-4-7-13(11)18-16-10-12(2)17-14(19-16)8-5-9-15(17)20/h3-10,18-19H,1-2H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94983
PNG
(2-methoxyethyl-[4-(o-veratrylamino)thieno[3,2-d]py...)
Show SMILES COCCNc1nc(NCc2cccc(OC)c2OC)c2sccc2n1
Show InChI InChI=1S/C18H22N4O3S/c1-23-9-8-19-18-21-13-7-10-26-16(13)17(22-18)20-11-12-5-4-6-14(24-2)15(12)25-3/h4-7,10H,8-9,11H2,1-3H3,(H2,19,20,21,22)
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BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94883
PNG
(MLS000581430 | N-[4-({2-[4-(2,4-dichlorophenoxy)bu...)
Show SMILES Clc1ccc(OCCCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(Cl)c1
Show InChI InChI=1S/C24H21Cl2N3O4/c25-18-10-13-21(20(26)15-18)33-14-4-7-22(30)28-29-24(32)17-8-11-19(12-9-17)27-23(31)16-5-2-1-3-6-16/h1-3,5-6,8-13,15H,4,7,14H2,(H,27,31)(H,28,30)(H,29,32)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM51767
PNG
(2-[(4-methyl-2-quinolyl)thio]-N-[5-(p-tolyl)-1,2,4...)
Show SMILES Cc1ccc(cc1)-c1nc(NC(=O)CSc2cc(C)c3ccccc3n2)ns1
Show InChI InChI=1S/C21H18N4OS2/c1-13-7-9-15(10-8-13)20-24-21(25-28-20)23-18(26)12-27-19-11-14(2)16-5-3-4-6-17(16)22-19/h3-11H,12H2,1-2H3,(H,23,25,26)
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BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50452
PNG
(2-(4-methoxyanilino)-6-nitro-1,3-benzothiazin-4-on...)
Show SMILES COc1ccc(cc1)\[NH+]=c1/[n-]c(=O)c2cc(ccc2s1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O4S/c1-22-11-5-2-9(3-6-11)16-15-17-14(19)12-8-10(18(20)21)4-7-13(12)23-15/h2-8H,1H3,(H,16,17,19)
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BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94939
PNG
((5-methylpyrazin-2-yl)methyl-[2-(o-anisylamino)thi...)
Show SMILES COc1ccccc1CNc1nc(NCc2cnc(C)cn2)c2sccc2n1
Show InChI InChI=1S/C20H20N6OS/c1-13-9-22-15(11-21-13)12-23-19-18-16(7-8-28-18)25-20(26-19)24-10-14-5-3-4-6-17(14)27-2/h3-9,11H,10,12H2,1-2H3,(H2,23,24,25,26)
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BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM95035
PNG
(2-(4-methylphenyl)-N-(3-pyridinylmethyl)-4-quinazo...)
Show SMILES Cc1ccc(cc1)-c1nc(NCc2cccnc2)c2ccccc2n1
Show InChI InChI=1S/C21H18N4/c1-15-8-10-17(11-9-15)20-24-19-7-3-2-6-18(19)21(25-20)23-14-16-5-4-12-22-13-16/h2-13H,14H2,1H3,(H,23,24,25)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94884
PNG
(2-[(2-phenylquinazolin-4-yl)amino]ethyl pyridine-3...)
Show SMILES O=C(OCCNc1nc(nc2ccccc12)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C22H18N4O2/c27-22(17-9-6-12-23-15-17)28-14-13-24-21-18-10-4-5-11-19(18)25-20(26-21)16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,24,25,26)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM59546
PNG
(3-[7-(2-chlorobenzyl)oxy-2-keto-4,8-dimethyl-chrom...)
Show SMILES Cc1c(OCc2ccccc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C21H19ClO5/c1-12-15-7-9-18(26-11-14-5-3-4-6-17(14)22)13(2)20(15)27-21(25)16(12)8-10-19(23)24/h3-7,9H,8,10-11H2,1-2H3,(H,23,24)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM95043
PNG
(3-(2,6-dichlorobenzyl)-2-methyl-4(1H)-pyridinone |...)
Show SMILES Cc1nccc(O)c1Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C13H11Cl2NO/c1-8-9(13(17)5-6-16-8)7-10-11(14)3-2-4-12(10)15/h2-6H,7H2,1H3,(H,16,17)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50154449
PNG
(5-[4-(2-Amino-ethylamino)-3-nitro-phenyl]-6-ethyl-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCCN)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H19N7O2/c1-2-9-12(13(16)20-14(17)19-9)8-3-4-10(18-6-5-15)11(7-8)21(22)23/h3-4,7,18H,2,5-6,15H2,1H3,(H4,16,17,19,20)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94928
PNG
((2E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-...)
Show SMILES CN(C)c1nc(N)nc(n1)C(=C\C1CC2CC1C=C2)\C#N
Show InChI InChI=1S/C15H18N6/c1-21(2)15-19-13(18-14(17)20-15)12(8-16)7-11-6-9-3-4-10(11)5-9/h3-4,7,9-11H,5-6H2,1-2H3,(H2,17,18,19,20)/b12-7+
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM95011
PNG
(2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinaz...)
Show SMILES Cc1ccc(cc1)-c1nc(NCCN2CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C21H24N4O/c1-16-6-8-17(9-7-16)20-23-19-5-3-2-4-18(19)21(24-20)22-10-11-25-12-14-26-15-13-25/h2-9H,10-15H2,1H3,(H,22,23,24)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM82697
PNG
(MLS000582831 | N-(4-{[2-(3-bromo-4-methylbenzoyl)h...)
Show SMILES CCCCC(=O)Nc1ccc(cc1)C(=O)NNC(=O)c1ccc(C)c(Br)c1
Show InChI InChI=1S/C20H22BrN3O3/c1-3-4-5-18(25)22-16-10-8-14(9-11-16)19(26)23-24-20(27)15-7-6-13(2)17(21)12-15/h6-12H,3-5H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94897
PNG
(6-methyl-5-(4-nitrophenyl)pyrimidine-2,4-diamine |...)
Show SMILES Cc1nc(N)nc(N)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C11H11N5O2/c1-6-9(10(12)15-11(13)14-6)7-2-4-8(5-3-7)16(17)18/h2-5H,1H3,(H4,12,13,14,15)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94895
PNG
((2R)-2-[(5-methyl-2-phenyl-4-quinazolinyl)amino]-2...)
Show SMILES Cc1cccc2nc(nc(N[C@@H](CO)c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C23H21N3O/c1-16-9-8-14-19-21(16)23(25-20(15-27)17-10-4-2-5-11-17)26-22(24-19)18-12-6-3-7-13-18/h2-14,20,27H,15H2,1H3,(H,24,25,26)/t20-/m0/s1
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM69343
PNG
(3-imidazol-1-ylpropyl-(2-phenylquinazolin-4-yl)ami...)
Show SMILES C(CNc1nc(nc2ccccc12)-c1ccccc1)Cn1ccnc1
Show InChI InChI=1S/C20H19N5/c1-2-7-16(8-3-1)19-23-18-10-5-4-9-17(18)20(24-19)22-11-6-13-25-14-12-21-15-25/h1-5,7-10,12,14-15H,6,11,13H2,(H,22,23,24)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94903
PNG
(MLS000769087 | N-(2-oxolanylmethyl)-2-(4-propan-2-...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nc(NCC2CCCO2)c2ccccc2n1
Show InChI InChI=1S/C22H25N3O2/c1-15(2)27-17-11-9-16(10-12-17)21-24-20-8-4-3-7-19(20)22(25-21)23-14-18-6-5-13-26-18/h3-4,7-12,15,18H,5-6,13-14H2,1-2H3,(H,23,24,25)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM95062
PNG
((3-Isopropoxy-propyl)-(2-phenyl-quinazolin-4-yl)-a...)
Show SMILES CC(C)OCCCNc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H23N3O/c1-15(2)24-14-8-13-21-20-17-11-6-7-12-18(17)22-19(23-20)16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,21,22,23)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM95039
PNG
(MLS001164916 | N-cyclopentyl-2-(2-fluorophenyl)-4-...)
Show SMILES Fc1ccccc1-c1nc(NC2CCCC2)c2ccccc2n1
Show InChI InChI=1S/C19H18FN3/c20-16-11-5-3-9-14(16)18-22-17-12-6-4-10-15(17)19(23-18)21-13-7-1-2-8-13/h3-6,9-13H,1-2,7-8H2,(H,21,22,23)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94888
PNG
((2-phenyl-4-quinolyl)-(2-piperidinoethyl)amine | 2...)
Show SMILES C(CN1CCCCC1)Nc1cc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H25N3/c1-3-9-18(10-4-1)21-17-22(19-11-5-6-12-20(19)24-21)23-13-16-25-14-7-2-8-15-25/h1,3-6,9-12,17H,2,7-8,13-16H2,(H,23,24)
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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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM94949
PNG
(4-(1-benzofuran-2-yl)-6-hydroxychromen-2-one | 4-(...)
Show SMILES Oc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1
Show InChI InChI=1S/C17H10O4/c18-11-5-6-15-12(8-11)13(9-17(19)21-15)16-7-10-3-1-2-4-14(10)20-16/h1-9,18H
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+4n/an/an/an/an/an/a



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
* indicates data uncertainty>20%