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PubChem AID 651700

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))
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 1.35E+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))
BDBM58771
PNG
(7-[4-[(3,5-dimethoxybenzoyl)carbamothioyl]piperazi...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C26H27FN4O6S/c1-4-29-14-19(25(34)35)23(32)18-12-20(27)22(13-21(18)29)30-5-7-31(8-6-30)26(38)28-24(33)15-9-16(36-2)11-17(10-15)37-3/h9-14H,4-8H2,1-3H3,(H,34,35)(H,28,33,38)
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n/an/a 1.47E+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))
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 1.82E+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))
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 1.98E+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))
BDBM94920
PNG
(MLS001197785 | N-(5-bromanyl-2-oxidanyl-phenyl)-5-...)
Show SMILES COc1ccc(cc1)-c1cc(no1)C(=O)Nc1cc(Br)ccc1O
Show InChI InChI=1S/C17H13BrN2O4/c1-23-12-5-2-10(3-6-12)16-9-14(20-24-16)17(22)19-13-8-11(18)4-7-15(13)21/h2-9,21H,1H3,(H,19,22)
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n/an/a 2.09E+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))
BDBM55065
PNG
(3-(5-methylfuran-2-yl)carbonyl-1-(5-methyl-1,2-oxa...)
Show SMILES CCCCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1cc(C)on1
Show InChI InChI=1S/C25H26N2O6/c1-4-5-6-13-31-18-10-8-17(9-11-18)22-21(23(28)19-12-7-15(2)32-19)24(29)25(30)27(22)20-14-16(3)33-26-20/h7-12,14,21-22H,4-6,13H2,1-3H3
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n/an/a 2.21E+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))
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 2.34E+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 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))
BDBM95006
PNG
(1-Ethyl-6-fluoro-7-[4-(3-methyl-benzoylaminocarbot...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1cccc(C)c1
Show InChI InChI=1S/C25H25FN4O4S/c1-3-28-14-18(24(33)34)22(31)17-12-19(26)21(13-20(17)28)29-7-9-30(10-8-29)25(35)27-23(32)16-6-4-5-15(2)11-16/h4-6,11-14H,3,7-10H2,1-2H3,(H,33,34)(H,27,32,35)
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n/an/a 2.74E+3n/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))
BDBM94905
PNG
(1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-6-...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCN(CC3)S(=O)(=O)c3ccc4OCCOc4c3)c(F)cc2c1=O
Show InChI InChI=1S/C25H24FN3O7S/c26-19-12-17-20(29(15-1-2-15)14-18(24(17)30)25(31)32)13-21(19)27-5-7-28(8-6-27)37(33,34)16-3-4-22-23(11-16)36-10-9-35-22/h3-4,11-15H,1-2,5-10H2,(H,31,32)
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n/an/a 2.89E+3n/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))
BDBM50211918
PNG
(CHEMBL226187 | N-(5-chloro-2-hydroxyphenyl)-5-(4-m...)
Show SMILES COc1ccc(cc1)-c1cc(no1)C(=O)Nc1cc(Cl)ccc1O
Show InChI InChI=1S/C17H13ClN2O4/c1-23-12-5-2-10(3-6-12)16-9-14(20-24-16)17(22)19-13-8-11(18)4-7-15(13)21/h2-9,21H,1H3,(H,19,22)
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n/an/a 2.91E+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))
BDBM55075
PNG
(3-(5-methylfuran-2-yl)carbonyl-1-(5-methyl-1,2-oxa...)
Show SMILES Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1cc(C)on1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H22N2O6/c1-16-8-13-21(34-16)25(30)23-24(29(27(32)26(23)31)22-14-17(2)35-28-22)19-9-11-20(12-10-19)33-15-18-6-4-3-5-7-18/h3-14,23-24H,15H2,1-2H3
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n/an/a 2.98E+3n/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))
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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n/an/a 3.14E+3n/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))
BDBM51850
PNG
(7-(4-{[(4-bromobenzoyl)amino]carbonothioyl}piperaz...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C24H22BrFN4O4S/c1-2-28-13-17(23(33)34)21(31)16-11-18(26)20(12-19(16)28)29-7-9-30(10-8-29)24(35)27-22(32)14-3-5-15(25)6-4-14/h3-6,11-13H,2,7-10H2,1H3,(H,33,34)(H,27,32,35)
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n/an/a 3.17E+3n/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))
BDBM94957
PNG
((5Z)-1-[2-(4-fluorophenyl)ethyl]-5-[(piperonylamin...)
Show SMILES Fc1ccc(CCN2C(=O)NC(=O)C(=CNCc3ccc4OCOc4c3)C2=O)cc1
Show InChI InChI=1S/C21H18FN3O5/c22-15-4-1-13(2-5-15)7-8-25-20(27)16(19(26)24-21(25)28)11-23-10-14-3-6-17-18(9-14)30-12-29-17/h1-6,9,11,23H,7-8,10,12H2,(H,24,26,28)
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n/an/a 3.20E+3n/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))
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 3.49E+3n/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))
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 3.79E+3n/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))
BDBM41069
PNG
(3-Chloro-benzo[b]thiophene-2-carboxylic acid (3-ox...)
Show SMILES Clc1c(sc2ccccc12)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
Show InChI InChI=1S/C21H12ClN3O2S/c22-17-14-7-1-2-9-16(14)28-18(17)20(26)24-13-6-3-5-12(11-13)21-25-19-15(27-21)8-4-10-23-19/h1-11H,(H,24,26)
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n/an/a 3.81E+3n/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))
BDBM82670
PNG
(MLS000545131 | N'-{3-nitrobenzylidene}naphtho[...)
Show SMILES [O-][N+](=O)c1cccc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)c1
Show InChI InChI=1S/C20H13N3O4/c24-20(22-21-12-13-4-3-6-15(10-13)23(25)26)19-11-17-16-7-2-1-5-14(16)8-9-18(17)27-19/h1-12H,(H,22,24)/b21-12+
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n/an/a 4.06E+3n/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))
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 4.06E+3n/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))
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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n/an/a 4.12E+3n/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))
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 4.31E+3n/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))
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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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))
BDBM94965
PNG
(7-[4-[(2-bromobenzoyl)carbamothioyl]piperazin-1-yl...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccccc1Br
Show InChI InChI=1S/C24H22BrFN4O4S/c1-2-28-13-16(23(33)34)21(31)15-11-18(26)20(12-19(15)28)29-7-9-30(10-8-29)24(35)27-22(32)14-5-3-4-6-17(14)25/h3-6,11-13H,2,7-10H2,1H3,(H,33,34)(H,27,32,35)
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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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM95029
PNG
(2-[4-(2-methyl-4-quinolinyl)-1-piperazinyl]-4-(4-n...)
Show SMILES Cc1cc(N2CCN(CC2)c2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)c2ccccc2n1
Show InChI InChI=1S/C23H21N5O2S/c1-16-14-22(19-4-2-3-5-20(19)24-16)26-10-12-27(13-11-26)23-25-21(15-31-23)17-6-8-18(9-7-17)28(29)30/h2-9,14-15H,10-13H2,1H3
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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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94955
PNG
(Indolizine, 1-methyl-3-[4-[2-(dimethylamino)ethoxy...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1c(c(C)c2ccccn12)-c1ccccc1
Show InChI InChI=1S/C25H26N2O/c1-19-23-11-7-8-16-27(23)25(24(19)20-9-5-4-6-10-20)21-12-14-22(15-13-21)28-18-17-26(2)3/h4-16H,17-18H2,1-3H3
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n/an/a 4.82E+3n/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))
BDBM94958
PNG
((2S)-2-[(8-bromo-4-keto-5H-imidazo[1,5-a]quinoxali...)
Show SMILES CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ncn2c1c(=O)[nH]c1ccc(Br)cc21
Show InChI InChI=1S/C24H23BrN4O4/c1-24(2,3)33-23(32)17(11-14-7-5-4-6-8-14)28-21(30)19-20-22(31)27-16-10-9-15(25)12-18(16)29(20)13-26-19/h4-10,12-13,17H,11H2,1-3H3,(H,27,31)(H,28,30)/t17-/m0/s1
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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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM95016
PNG
(MLS000697168 | N-[(3Z)-3-(3H-1,3-benzothiazol-2-yl...)
Show SMILES Oc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1-c1nc2ccccc2s1
Show InChI InChI=1S/C23H14N2O4S/c26-17-10-9-13(11-15(17)23-25-16-6-2-4-8-21(16)30-23)24-22(28)20-12-18(27)14-5-1-3-7-19(14)29-20/h1-12,26H,(H,24,28)
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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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM95000
PNG
(2-(2-fluorophenyl)-N-(1-phenylethyl)-4-quinazolina...)
Show SMILES CC(Nc1nc(nc2ccccc12)-c1ccccc1F)c1ccccc1
Show InChI InChI=1S/C22H18FN3/c1-15(16-9-3-2-4-10-16)24-22-18-12-6-8-14-20(18)25-21(26-22)17-11-5-7-13-19(17)23/h2-15H,1H3,(H,24,25,26)
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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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94881
PNG
(7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C24H24FN3O7S/c1-2-26-14-17(24(30)31)23(29)16-12-18(25)20(13-19(16)26)27-5-7-28(8-6-27)36(32,33)15-3-4-21-22(11-15)35-10-9-34-21/h3-4,11-14H,2,5-10H2,1H3,(H,30,31)
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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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM55022
PNG
(1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-methyl-4-...)
Show SMILES COc1c(N2CCN(C(C)C2)C(=S)NCc2ccccc2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1S/C27H29FN4O4S/c1-16-14-30(10-11-31(16)27(37)29-13-17-6-4-3-5-7-17)23-21(28)12-19-22(25(23)36-2)32(18-8-9-18)15-20(24(19)33)26(34)35/h3-7,12,15-16,18H,8-11,13-14H2,1-2H3,(H,29,37)(H,34,35)
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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
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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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))
BDBM95052
PNG
(7-[4-(2-Chloro-benzoylaminocarbothioyl)-piperazin-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C24H22ClFN4O4S/c1-2-28-13-16(23(33)34)21(31)15-11-18(26)20(12-19(15)28)29-7-9-30(10-8-29)24(35)27-22(32)14-5-3-4-6-17(14)25/h3-6,11-13H,2,7-10H2,1H3,(H,33,34)(H,27,32,35)
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n/an/a 5.84E+3n/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))
BDBM94918
PNG
(7-(1,3-benzodioxol-5-yl)-2-(3-thienyl)chromone | 7...)
Show SMILES O=c1cc(oc2cc(ccc12)-c1ccc2OCOc2c1)-c1ccsc1
Show InChI InChI=1S/C20H12O4S/c21-16-9-18(14-5-6-25-10-14)24-19-7-12(1-3-15(16)19)13-2-4-17-20(8-13)23-11-22-17/h1-10H,11H2
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n/an/a 6.19E+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))
BDBM50162328
PNG
(CHEMBL195166 | N-Furan-2-ylmethyl-N''-(3-{[(furan-...)
Show SMILES O=C(NCc1ccco1)C(=O)NCc1cccc(CNC(=O)C(=O)NCc2ccco2)c1
Show InChI InChI=1S/C22H22N4O6/c27-19(21(29)25-13-17-6-2-8-31-17)23-11-15-4-1-5-16(10-15)12-24-20(28)22(30)26-14-18-7-3-9-32-18/h1-10H,11-14H2,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
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n/an/a 6.32E+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))
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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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))
BDBM94933
PNG
(MLS003678788 | N-cyclopentyl-2-[4-(2-methyl-4-quin...)
Show SMILES Cc1cc(N2CCN(CC2)C(C(=O)NC2CCCC2)c2ccc(cc2)-c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C33H36N4O/c1-24-23-31(29-13-7-8-14-30(29)34-24)36-19-21-37(22-20-36)32(33(38)35-28-11-5-6-12-28)27-17-15-26(16-18-27)25-9-3-2-4-10-25/h2-4,7-10,13-18,23,28,32H,5-6,11-12,19-22H2,1H3,(H,35,38)
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n/an/a 6.49E+3n/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))
BDBM82824
PNG
(1,2,3-benzotriazin-4-yl-[4-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1ccc(Nc2nnnc3ccccc23)cc1
Show InChI InChI=1S/C14H9F3N4/c15-14(16,17)9-5-7-10(8-6-9)18-13-11-3-1-2-4-12(11)19-21-20-13/h1-8H,(H,18,19,20)
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n/an/a 6.59E+3n/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))
BDBM94885
PNG
(5-(4-methoxyphenyl)-N-[(E)-[5-(4-nitrophenyl)-2-fu...)
Show SMILES COc1ccc(cc1)-c1cnnc(n1)\[NH+]=N\[CH-]c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H15N6O4/c1-30-17-8-4-14(5-9-17)19-13-23-26-21(24-19)25-22-12-18-10-11-20(31-18)15-2-6-16(7-3-15)27(28)29/h2-13H,1H3/q-1/p+1/b25-22+
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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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM95048
PNG
(1-Ethyl-6-fluoro-7-[4-(2-fluoro-benzoylaminocarbot...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccccc1F
Show InChI InChI=1S/C24H22F2N4O4S/c1-2-28-13-16(23(33)34)21(31)15-11-18(26)20(12-19(15)28)29-7-9-30(10-8-29)24(35)27-22(32)14-5-3-4-6-17(14)25/h3-6,11-13H,2,7-10H2,1H3,(H,33,34)(H,27,32,35)
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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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM46215
PNG
(2-[4-[[5-(4-chlorophenyl)-6-isopropoxycarbonyl-3-k...)
Show SMILES CC(C)OC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN2O6S/c1-14(2)35-25(33)22-15(3)28-26-29(23(22)17-6-8-18(27)9-7-17)24(32)20(36-26)12-16-4-10-19(11-5-16)34-13-21(30)31/h4-12,14,23H,13H2,1-3H3,(H,30,31)
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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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(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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n/an/a 6.78E+3n/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))
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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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))
BDBM88762
PNG
(4-nitro-2-(4-quinazolinylamino)phenol | 4-nitro-2-...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O3/c19-13-6-5-9(18(20)21)7-12(13)17-14-10-3-1-2-4-11(10)15-8-16-14/h1-8,19H,(H,15,16,17)
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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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(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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n/an/a 7.12E+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))
BDBM94915
PNG
(1-Ethyl-6-fluoro-7-[4-(2-methyl-benzoylaminocarbot...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccccc1C
Show InChI InChI=1S/C25H25FN4O4S/c1-3-28-14-18(24(33)34)22(31)17-12-19(26)21(13-20(17)28)29-8-10-30(11-9-29)25(35)27-23(32)16-7-5-4-6-15(16)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,33,34)(H,27,32,35)
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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 (2012)


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


(Homo sapiens (Human))
BDBM95018
PNG
(1-ethyl-6-fluoranyl-7-[4-[(4-methoxyphenyl)carbony...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C25H25FN4O5S/c1-3-28-14-18(24(33)34)22(31)17-12-19(26)21(13-20(17)28)29-8-10-30(11-9-29)25(36)27-23(32)15-4-6-16(35-2)7-5-15/h4-7,12-14H,3,8-11H2,1-2H3,(H,33,34)(H,27,32,36)
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n/an/a 7.26E+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))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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n/an/a 7.43E+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))
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 7.44E+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))
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 7.48E+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
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* indicates data uncertainty>20%