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PubChem AID 652005

Compile Data Set for Download or QSAR

Found 338 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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM48754
PNG
(2-(2-chlorophenyl)-N'-(2-keto-5-nitro-indol-3-yl)c...)
Show SMILES [O-][N+](=O)c1ccc2[N-]C(=O)\C(=[NH+]/NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)c2c1
Show InChI InChI=1S/C24H14ClN5O4/c25-18-7-3-1-6-15(18)21-12-16(14-5-2-4-8-19(14)26-21)23(31)29-28-22-17-11-13(30(33)34)9-10-20(17)27-24(22)32/h1-12H,(H2,26,27,28,29,31,32)
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n/an/a 2.89E+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))
BDBM50513
PNG
(4-(2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetraoxo-1,...)
Show SMILES Cc1ccc(cc1C)-n1c(=O)c2cc3c(c(C(=O)c4ccc(cc4)C(O)=O)c2c1=O)c(=O)n(-c1ccc(C)c(C)c1)c3=O
Show InChI InChI=1S/C34H24N2O7/c1-16-5-11-22(13-18(16)3)35-30(38)24-15-25-27(33(41)36(31(25)39)23-12-6-17(2)19(4)14-23)28(26(24)32(35)40)29(37)20-7-9-21(10-8-20)34(42)43/h5-15H,1-4H3,(H,42,43)
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n/an/a 3.13E+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))
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))
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 3.72E+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))
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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n/an/a 4.25E+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))
BDBM94979
PNG
(2-thiophenecarboxylic acid [4-[(Z)-[[(4-chlorophen...)
Show SMILES Clc1ccc(cc1)C(=O)N\N=C/c1ccc(OC(=O)c2cccs2)cc1
Show InChI InChI=1S/C19H13ClN2O3S/c20-15-7-5-14(6-8-15)18(23)22-21-12-13-3-9-16(10-4-13)25-19(24)17-2-1-11-26-17/h1-12H,(H,22,23)/b21-12-
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n/an/a 4.51E+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))
BDBM95057
PNG
((2H-acenaphthylen-1-ylideneamino)thiourea | (acena...)
Show SMILES NC(=S)NN=C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C13H11N3S/c14-13(17)16-15-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6H,7H2,(H3,14,16,17)
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n/an/a 4.94E+3n/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))
BDBM94952
PNG
(2-[4-(2-fluorophenyl)-1-piperazinyl]-1-(1H-indol-6...)
Show SMILES Fc1ccccc1N1CCN(CC(=O)c2ccc3cc[nH]c3c2)CC1
Show InChI InChI=1S/C20H20FN3O/c21-17-3-1-2-4-19(17)24-11-9-23(10-12-24)14-20(25)16-6-5-15-7-8-22-18(15)13-16/h1-8,13,22H,9-12,14H2
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n/an/a 5.49E+3n/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))
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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n/an/a 5.74E+3n/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))
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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n/an/a 5.80E+3n/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))
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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n/an/a 5.86E+3n/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))
BDBM50346
PNG
(2-amino-1-amyl-3-(1,3-benzoxazol-2-yl)-6-ethyl-4-n...)
Show SMILES CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c(nn(CC)c(=O)c12)[N+]([O-])=O
Show InChI InChI=1S/C20H22N6O4/c1-3-5-8-11-24-16-14(18(26(28)29)23-25(4-2)20(16)27)15(17(24)21)19-22-12-9-6-7-10-13(12)30-19/h6-7,9-10H,3-5,8,11,21H2,1-2H3
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n/an/a 5.88E+3n/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))
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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n/an/a 6.08E+3n/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))
BDBM94887
PNG
(1,3-benzodioxole-5-carboxylic acid [4-[(E)-[[(5-br...)
Show SMILES Brc1cncc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C21H14BrN3O5/c22-16-7-15(10-23-11-16)20(26)25-24-9-13-1-4-17(5-2-13)30-21(27)14-3-6-18-19(8-14)29-12-28-18/h1-11H,12H2,(H,25,26)/b24-9+
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n/an/a 6.29E+3n/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))
BDBM61732
PNG
(4-[[4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-...)
Show SMILES CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H24N2O6/c1-3-34-25-15-19(6-13-24(25)35-17-18-4-7-20(8-5-18)27(31)32)14-21(16-28)26(30)29-22-9-11-23(33-2)12-10-22/h4-15H,3,17H2,1-2H3,(H,29,30)(H,31,32)/b21-14-
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n/an/a 6.48E+3n/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 7.19E+3n/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))
BDBM28879
PNG
(2-[(5Z)-5-[(3-{4-[(4-chlorophenyl)methoxy]phenyl}-...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22ClN3O5S3/c29-22-10-6-19(7-11-22)18-37-24-12-8-20(9-13-24)26-21(17-32(30-26)23-4-2-1-3-5-23)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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n/an/a 7.21E+3n/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))
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 7.43E+3n/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))
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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n/an/a 7.75E+3n/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))
BDBM51777
PNG
(3-[7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4...)
Show SMILES Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C22H19ClO7/c1-11-14-3-5-17(12(2)21(14)30-22(26)15(11)4-6-20(24)25)27-9-13-7-18-19(8-16(13)23)29-10-28-18/h3,5,7-8H,4,6,9-10H2,1-2H3,(H,24,25)
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n/an/a 8.04E+3n/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))
BDBM94988
PNG
(MLS000830187 | N-(4-keto-7-methyl-thieno[3,2-d][1,...)
Show SMILES Cc1csc2c1nc(NC(=O)c1cccs1)sc2=O
Show InChI InChI=1S/C12H8N2O2S3/c1-6-5-18-9-8(6)13-12(19-11(9)16)14-10(15)7-3-2-4-17-7/h2-5H,1H3,(H,13,14,15)
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n/an/a 8.33E+3n/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))
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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n/an/a 9.06E+3n/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))
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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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))
BDBM95044
PNG
(2-N-(2-methoxyethyl)-4-N-[[3-(4-methoxyphenyl)-1,2...)
Show SMILES COCCNc1nc(NCc2cc(no2)-c2ccc(OC)cc2)c2sccc2n1
Show InChI InChI=1S/C20H21N5O3S/c1-26-9-8-21-20-23-16-7-10-29-18(16)19(24-20)22-12-15-11-17(25-28-15)13-3-5-14(27-2)6-4-13/h3-7,10-11H,8-9,12H2,1-2H3,(H2,21,22,23,24)
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n/an/a 9.53E+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))
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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n/an/a 9.54E+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))
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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n/an/a 9.87E+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))
BDBM95053
PNG
(3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione ...)
Show SMILES COc1cccc(Nc2c(Nc3cccc(OC)c3)c(=O)c2=O)c1
Show InChI InChI=1S/C18H16N2O4/c1-23-13-7-3-5-11(9-13)19-15-16(18(22)17(15)21)20-12-6-4-8-14(10-12)24-2/h3-10,19-20H,1-2H3
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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))
BDBM95042
PNG
(6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-4H-1,4-be...)
Show SMILES CCC(C)Nc1nc(cs1)-c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C15H17N3O2S/c1-3-9(2)16-15-18-12(8-21-15)10-4-5-13-11(6-10)17-14(19)7-20-13/h4-6,8-9H,3,7H2,1-2H3,(H,16,18)(H,17,19)
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n/an/a 1.05E+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))
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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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))
BDBM94896
PNG
(3-(4-chlorophenyl)-N-methyl-5-triazolo[1,5-a]quina...)
Show SMILES CNc1nc2c(nnn2c2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClN5/c1-18-15-12-4-2-3-5-13(12)22-16(19-15)14(20-21-22)10-6-8-11(17)9-7-10/h2-9H,1H3,(H,18,19)
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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))
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 1.12E+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))
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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n/an/a 1.12E+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))
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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n/an/a 1.15E+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))
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 1.16E+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))
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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n/an/a 1.19E+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))
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 1.20E+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))
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 1.21E+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))
BDBM95024
PNG
(4-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl...)
Show SMILES Clc1ccc(Br)cc1-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C13H7BrClN3O/c14-9-1-2-11(15)10(7-9)13-17-12(18-19-13)8-3-5-16-6-4-8/h1-7H
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n/an/a 1.22E+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))
BDBM50303174
PNG
(2-(5-((3-(4-(2-fluorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3F)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22FN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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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))
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 1.23E+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))
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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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))
BDBM82685
PNG
(MLS000546588 | N'-(4-methylbenzoyl)thieno[2,3-...)
Show SMILES Cc1ccc(cc1)C(=O)NNC(=O)c1cc2cc3ccccc3nc2s1
Show InChI InChI=1S/C20H15N3O2S/c1-12-6-8-13(9-7-12)18(24)22-23-19(25)17-11-15-10-14-4-2-3-5-16(14)21-20(15)26-17/h2-11H,1H3,(H,22,24)(H,23,25)
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n/an/a 1.28E+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))
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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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))
BDBM94882
PNG
((4-isopropylbenzyl)-[2-(2-methoxyethylamino)thieno...)
Show SMILES COCCNc1nc(NCc2ccc(cc2)C(C)C)c2sccc2n1
Show InChI InChI=1S/C19H24N4OS/c1-13(2)15-6-4-14(5-7-15)12-21-18-17-16(8-11-25-17)22-19(23-18)20-9-10-24-3/h4-8,11,13H,9-10,12H2,1-3H3,(H2,20,21,22,23)
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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))
BDBM94924
PNG
(6-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-4H-1,4-b...)
Show SMILES COc1ccc(Nc2nc(cs2)-c2ccc3OCC(=O)Nc3c2)cc1
Show InChI InChI=1S/C18H15N3O3S/c1-23-13-5-3-12(4-6-13)19-18-21-15(10-25-18)11-2-7-16-14(8-11)20-17(22)9-24-16/h2-8,10H,9H2,1H3,(H,19,21)(H,20,22)
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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))
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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n/an/a 1.31E+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))
BDBM94968
PNG
(6-(4-Chloro-phenyl)-2,3-dihydro-1-thia-4,7,7a-tria...)
Show SMILES Clc1ccc(cc1)-c1cc2nc3CCSc3c(=O)n2[nH]1
Show InChI InChI=1S/C14H10ClN3OS/c15-9-3-1-8(2-4-9)11-7-12-16-10-5-6-20-13(10)14(19)18(12)17-11/h1-4,7,17H,5-6H2
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n/an/a 1.34E+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))
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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n/an/a 1.37E+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))
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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n/an/a 1.40E+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))
BDBM94951
PNG
((3-Amino-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)-(...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H12Cl2N2OS/c1-7-5-8(2)20-16-12(7)13(19)15(22-16)14(21)9-3-4-10(17)11(18)6-9/h3-6H,19H2,1-2H3
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n/an/a 1.42E+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
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* indicates data uncertainty>20%