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Compile Data Set for Download or QSAR

Found 715 hits with Last Name = 'gao' and Initial = 'lx'   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50401506
PNG
(CHEMBL2205895)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5c(C[C@]4(C)[C@H]3CC[C@]12C)cnn5-c1ccccc1 |r,t:13|
Show InChI InChI=1S/C33H44N2O2/c1-21(11-16-29(36)37)25-13-14-26-24-12-15-28-31(2,3)30-22(20-34-35(30)23-9-7-6-8-10-23)19-33(28,5)27(24)17-18-32(25,26)4/h6-10,15,20-21,24-27H,11-14,16-19H2,1-5H3,(H,36,37)/t21-,24+,25-,26+,27+,32-,33-/m1/s1
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840n/an/an/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Competitive inhibition of PTP1B by para-nitrophenyl phosphate release assay


Bioorg Med Chem Lett 22: 7237-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.040
BindingDB Entry DOI: 10.7270/Q2JH3NCP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50045060
PNG
(CHEMBL3309789)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cccc(Cn2cc(C(O)=O)c(=O)c3cc(I)ccc23)c1
Show InChI InChI=1S/C23H18INO7/c1-2-32-23(31)20(27)10-19(26)14-5-3-4-13(8-14)11-25-12-17(22(29)30)21(28)16-9-15(24)6-7-18(16)25/h3-10,12,27H,2,11H2,1H3,(H,29,30)/b20-10-
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1.33E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of PTP1B (unknown origin) using pNPP as substrate by Lineweaver-Burk plot


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50347243
PNG
(CHEMBL1795950)
Show SMILES CC(C)(C)OC(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C45H52N4O10/c1-45(2,3)59-44(52)46-37(43(50)51)30-54-29-36-24-49(48-47-36)42-41(57-28-35-22-14-7-15-23-35)40(56-27-34-20-12-6-13-21-34)39(55-26-33-18-10-5-11-19-33)38(58-42)31-53-25-32-16-8-4-9-17-32/h4-24,37-42H,25-31H2,1-3H3,(H,46,52)(H,50,51)/t37-,38+,39+,40-,41+,42+/m0/s1
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3.90E+3n/an/an/an/an/an/a6.5n/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant PTB1B catalytic domain using pNPP substrate at 30 degC and pH 6.5 by Eadie-Hofstee plot


Bioorg Med Chem 19: 3892-900 (2011)


Article DOI: 10.1016/j.bmc.2011.05.049
BindingDB Entry DOI: 10.7270/Q2RJ4JTV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50069688
PNG
(CHEMBL3402548)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1CC(=O)C(C)=C
Show InChI InChI=1S/C21H20O5/c1-13(2)19(24)12-17-20(26-3)11-9-16(21(17)25)18(23)10-6-14-4-7-15(22)8-5-14/h4-11,22,25H,1,12H2,2-3H3/b10-6+
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n/an/a 0.820n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay


Bioorg Med Chem Lett 25: 2028-32 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.003
BindingDB Entry DOI: 10.7270/Q2XP76M3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50346601
PNG
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay


Bioorg Med Chem Lett 25: 2028-32 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.003
BindingDB Entry DOI: 10.7270/Q2XP76M3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50069683
PNG
(CHEMBL1718454)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1CC(OO)C(C)=C
Show InChI InChI=1/C21H22O6/c1-13(2)20(27-25)12-17-19(26-3)11-9-16(21(17)24)18(23)10-6-14-4-7-15(22)8-5-14/h4-11,20,22,24-25H,1,12H2,2-3H3/b10-6+
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n/an/a 1.40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay


Bioorg Med Chem Lett 25: 2028-32 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.003
BindingDB Entry DOI: 10.7270/Q2XP76M3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50352811
PNG
(CHEMBL1722838)
Show SMILES [#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C26H30O4/c1-18(2)6-5-7-19(3)8-14-23-25(30-4)17-15-22(26(23)29)24(28)16-11-20-9-12-21(27)13-10-20/h6,8-13,15-17,27,29H,5,7,14H2,1-4H3/b16-11+,19-8+
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n/an/a 1.70n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay


Bioorg Med Chem Lett 25: 2028-32 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.003
BindingDB Entry DOI: 10.7270/Q2XP76M3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50069691
PNG
(XANTHOANGELOL | Xanthoangelol | Xanthoangerol)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccccc2)c1-[#8]
Show InChI InChI=1S/C25H28O3/c1-18(2)8-7-9-19(3)12-14-21-24(27)17-15-22(25(21)28)23(26)16-13-20-10-5-4-6-11-20/h4-6,8,10-13,15-17,27-28H,7,9,14H2,1-3H3/b16-13+,19-12+
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n/an/a 2n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay


Bioorg Med Chem Lett 25: 2028-32 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.003
BindingDB Entry DOI: 10.7270/Q2XP76M3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50045061
PNG
(CHEMBL3309790)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cccc(Cn2cc(C(O)=O)c(=O)c3cc(I)ccc23)c1
Show InChI InChI=1S/C21H14INO7/c22-13-4-5-16-14(7-13)19(26)15(20(27)28)10-23(16)9-11-2-1-3-12(6-11)17(24)8-18(25)21(29)30/h1-8,10,25H,9H2,(H,27,28)(H,29,30)/b18-8-
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n/an/a 2.40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50352809
PNG
(CHEMBL458094)
Show SMILES [#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C21H22O4/c1-14(2)4-10-18-20(25-3)13-11-17(21(18)24)19(23)12-7-15-5-8-16(22)9-6-15/h4-9,11-13,22,24H,10H2,1-3H3/b12-7+
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n/an/a 2.5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay


Bioorg Med Chem Lett 25: 2028-32 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.003
BindingDB Entry DOI: 10.7270/Q2XP76M3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50067880
PNG
(4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one | 4-me...)
Show SMILES COc1c2ccoc2cc2oc(=O)ccc12
Show InChI InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
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n/an/a 2.5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay


Bioorg Med Chem Lett 25: 2028-32 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.003
BindingDB Entry DOI: 10.7270/Q2XP76M3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50045060
PNG
(CHEMBL3309789)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cccc(Cn2cc(C(O)=O)c(=O)c3cc(I)ccc23)c1
Show InChI InChI=1S/C23H18INO7/c1-2-32-23(31)20(27)10-19(26)14-5-3-4-13(8-14)11-25-12-17(22(29)30)21(28)16-9-15(24)6-7-18(16)25/h3-10,12,27H,2,11H2,1H3,(H,29,30)/b20-10-
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n/an/a 3.10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50352810
PNG
(CHEMBL1711961)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1CC(O)C(C)=C
Show InChI InChI=1S/C21H22O5/c1-13(2)19(24)12-17-20(26-3)11-9-16(21(17)25)18(23)10-6-14-4-7-15(22)8-5-14/h4-11,19,22,24-25H,1,12H2,2-3H3/b10-6+
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n/an/a 4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay


Bioorg Med Chem Lett 25: 2028-32 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.003
BindingDB Entry DOI: 10.7270/Q2XP76M3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50069689
PNG
(CHEMBL3402550)
Show SMILES CCOC1C(Oc2c1c(OC)ccc2C(=O)\C=C\c1ccc(O)cc1)C(C)(C)O
Show InChI InChI=1/C23H26O6/c1-5-28-21-19-18(27-4)13-11-16(20(19)29-22(21)23(2,3)26)17(25)12-8-14-6-9-15(24)10-7-14/h6-13,21-22,24,26H,5H2,1-4H3/b12-8+
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n/an/a 4.40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay


Bioorg Med Chem Lett 25: 2028-32 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.003
BindingDB Entry DOI: 10.7270/Q2XP76M3
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50045061
PNG
(CHEMBL3309790)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cccc(Cn2cc(C(O)=O)c(=O)c3cc(I)ccc23)c1
Show InChI InChI=1S/C21H14INO7/c22-13-4-5-16-14(7-13)19(26)15(20(27)28)10-23(16)9-11-2-1-3-12(6-11)17(24)8-18(25)21(29)30/h1-8,10,25H,9H2,(H,27,28)(H,29,30)/b18-8-
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n/an/a 4.90n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of TCPTP (unknown origin) using pNPP as substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50045061
PNG
(CHEMBL3309790)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cccc(Cn2cc(C(O)=O)c(=O)c3cc(I)ccc23)c1
Show InChI InChI=1S/C21H14INO7/c22-13-4-5-16-14(7-13)19(26)15(20(27)28)10-23(16)9-11-2-1-3-12(6-11)17(24)8-18(25)21(29)30/h1-8,10,25H,9H2,(H,27,28)(H,29,30)/b18-8-
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n/an/a 5.10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin) using 3-o-methylfluorescein phosphatase substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50045060
PNG
(CHEMBL3309789)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cccc(Cn2cc(C(O)=O)c(=O)c3cc(I)ccc23)c1
Show InChI InChI=1S/C23H18INO7/c1-2-32-23(31)20(27)10-19(26)14-5-3-4-13(8-14)11-25-12-17(22(29)30)21(28)16-9-15(24)6-7-18(16)25/h3-10,12,27H,2,11H2,1H3,(H,29,30)/b20-10-
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n/an/a 6.30n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of TCPTP (unknown origin) using pNPP as substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50045063
PNG
(CHEMBL3309792)
Show SMILES COC(=O)c1c(O)cccc1OCCCNC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C28H24FN3O8/c1-39-28(36)25-23(33)4-2-5-24(25)40-13-3-12-30-27(35)21-16-31(15-17-6-8-18(29)9-7-17)22-11-10-19(32(37)38)14-20(22)26(21)34/h2,4-11,14,16,33H,3,12-13,15H2,1H3,(H,30,35)
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UniChem
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n/an/a 6.5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50045060
PNG
(CHEMBL3309789)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cccc(Cn2cc(C(O)=O)c(=O)c3cc(I)ccc23)c1
Show InChI InChI=1S/C23H18INO7/c1-2-32-23(31)20(27)10-19(26)14-5-3-4-13(8-14)11-25-12-17(22(29)30)21(28)16-9-15(24)6-7-18(16)25/h3-10,12,27H,2,11H2,1H3,(H,29,30)/b20-10-
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n/an/a 6.80n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin) using 3-o-methylfluorescein phosphatase substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50045051
PNG
(CHEMBL3309773)
Show SMILES OC(=O)c1cn(C2CC2)c2ccc(Cc3ccccc3)cc2c1=O
Show InChI InChI=1S/C20H17NO3/c22-19-16-11-14(10-13-4-2-1-3-5-13)6-9-18(16)21(15-7-8-15)12-17(19)20(23)24/h1-6,9,11-12,15H,7-8,10H2,(H,23,24)
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n/an/a 7.5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50045058
PNG
(CHEMBL3309787)
Show SMILES COC(=O)c1cc(Cn2cc(C(O)=O)c(=O)c3cc(I)ccc23)ccc1O
Show InChI InChI=1S/C19H14INO6/c1-27-19(26)13-6-10(2-5-16(13)22)8-21-9-14(18(24)25)17(23)12-7-11(20)3-4-15(12)21/h2-7,9,22H,8H2,1H3,(H,24,25)
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n/an/a 8.10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50071370
PNG
((3R,8S)-falcarindiol | (3R,8S,)-heptadeca-1,9-dien...)
Show SMILES CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C |r|
Show InChI InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay


Bioorg Med Chem Lett 25: 2028-32 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.003
BindingDB Entry DOI: 10.7270/Q2XP76M3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50045053
PNG
(CHEMBL3309776)
Show SMILES OC(=O)c1cn(C2CC2)c2ccc(cc2c1=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H25N3O3/c28-23-20-14-19(8-9-22(20)27(18-6-7-18)16-21(23)24(29)30)26-12-10-25(11-13-26)15-17-4-2-1-3-5-17/h1-5,8-9,14,16,18H,6-7,10-13,15H2,(H,29,30)
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n/an/a 9.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50045062
PNG
(CHEMBL3309791)
Show SMILES COC(=O)c1c(O)cccc1OCCCNC(=O)c1cn(Cc2ccccc2)c2cc(F)ccc2c1=O
Show InChI InChI=1S/C28H25FN2O6/c1-36-28(35)25-23(32)9-5-10-24(25)37-14-6-13-30-27(34)21-17-31(16-18-7-3-2-4-8-18)22-15-19(29)11-12-20(22)26(21)33/h2-5,7-12,15,17,32H,6,13-14,16H2,1H3,(H,30,34)
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n/an/a 9.40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50069686
PNG
(CHEMBL3402554)
Show SMILES CC(C)C(=O)O[C@H]1Cc2c(OC1(C)C)ccc1ccc(=O)oc21 |r|
Show InChI InChI=1/C18H20O5/c1-10(2)17(20)21-14-9-12-13(23-18(14,3)4)7-5-11-6-8-15(19)22-16(11)12/h5-8,10,14H,9H2,1-4H3/t14-/s2
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n/an/a 9.60n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay


Bioorg Med Chem Lett 25: 2028-32 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.003
BindingDB Entry DOI: 10.7270/Q2XP76M3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50069687
PNG
((+)-Cis-Khellactone | CHEMBL68727)
Show SMILES CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](O)[C@H]1O |r|
Show InChI InChI=1/C14H14O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,13,16-17H,1-2H3/t11-,13-/s2
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n/an/a 10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay


Bioorg Med Chem Lett 25: 2028-32 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.003
BindingDB Entry DOI: 10.7270/Q2XP76M3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50045054
PNG
(CHEMBL3309777)
Show SMILES Ic1ccc2n(cc(C(=O)OCc3ccccc3)c(=O)c2c1)C1CC1
Show InChI InChI=1S/C20H16INO3/c21-14-6-9-18-16(10-14)19(23)17(11-22(18)15-7-8-15)20(24)25-12-13-4-2-1-3-5-13/h1-6,9-11,15H,7-8,12H2
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n/an/a 11n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50045052
PNG
(CHEMBL3309774)
Show SMILES OC(=O)c1cn(C2CC2)c2ccc(Cc3ccc(F)cc3)cc2c1=O
Show InChI InChI=1S/C20H16FNO3/c21-14-4-1-12(2-5-14)9-13-3-8-18-16(10-13)19(23)17(20(24)25)11-22(18)15-6-7-15/h1-5,8,10-11,15H,6-7,9H2,(H,24,25)
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n/an/a 12n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50069685
PNG
(JATAMANSIN | Jatamansin)
Show SMILES C\C=C(\C)C(=O)O[C@@H]1Cc2c(OC1(C)C)ccc1ccc(=O)oc21 |r|
Show InChI InChI=1/C19H20O5/c1-5-11(2)18(21)22-15-10-13-14(24-19(15,3)4)8-6-12-7-9-16(20)23-17(12)13/h5-9,15H,10H2,1-4H3/b11-5-/t15-/s2
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n/an/a 12n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay


Bioorg Med Chem Lett 25: 2028-32 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.003
BindingDB Entry DOI: 10.7270/Q2XP76M3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50045056
PNG
(CHEMBL3309783)
Show SMILES Ic1ccc2n(Cc3ccccc3)cc(C(=O)NCc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C24H19IN2O2/c25-19-11-12-22-20(13-19)23(28)21(16-27(22)15-18-9-5-2-6-10-18)24(29)26-14-17-7-3-1-4-8-17/h1-13,16H,14-15H2,(H,26,29)
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n/an/a 14n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50045055
PNG
(CHEMBL3309778)
Show SMILES Fc1ccc(COC(=O)c2cn(C3CC3)c3ccc(Cc4ccc(F)cc4)cc3c2=O)cc1
Show InChI InChI=1S/C27H21F2NO3/c28-20-6-1-17(2-7-20)13-19-5-12-25-23(14-19)26(31)24(15-30(25)22-10-11-22)27(32)33-16-18-3-8-21(29)9-4-18/h1-9,12,14-15,22H,10-11,13,16H2
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n/an/a 14n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50056315
PNG
(CHEBI:17558 | QUERCITRIN | Quercitrin)
Show SMILES C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay


Bioorg Med Chem Lett 25: 2028-32 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.003
BindingDB Entry DOI: 10.7270/Q2XP76M3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50045057
PNG
(CHEMBL3309786)
Show SMILES COC(=O)c1cc(Cn2cc(C(O)=O)c(=O)c3cc(I)ccc23)ccc1OC
Show InChI InChI=1S/C20H16INO6/c1-27-17-6-3-11(7-14(17)20(26)28-2)9-22-10-15(19(24)25)18(23)13-8-12(21)4-5-16(13)22/h3-8,10H,9H2,1-2H3,(H,24,25)
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n/an/a>20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50045059
PNG
(CHEMBL3309788)
Show SMILES COC(=O)c1cc(Cn2cc(C(=O)NCc3ccccc3)c(=O)c3cc(I)ccc23)ccc1OC
Show InChI InChI=1S/C27H23IN2O5/c1-34-24-11-8-18(12-21(24)27(33)35-2)15-30-16-22(25(31)20-13-19(28)9-10-23(20)30)26(32)29-14-17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,29,32)
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n/an/a>20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50045064
PNG
(CHEMBL3309793)
Show SMILES COC(=O)c1c(OCCCN2CCN(CC2)c2ccc3n(cc(C(O)=O)c(=O)c3c2)C2CC2)cccc1OCc1ccccc1
Show InChI InChI=1S/C35H37N3O7/c1-43-35(42)32-30(9-5-10-31(32)45-23-24-7-3-2-4-8-24)44-20-6-15-36-16-18-37(19-17-36)26-13-14-29-27(21-26)33(39)28(34(40)41)22-38(29)25-11-12-25/h2-5,7-10,13-14,21-22,25H,6,11-12,15-20,23H2,1H3,(H,40,41)
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n/an/a 45n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric assay


Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM124256
PNG
((3S,3aR,4S,7aS)-4-acetyl-7-dodecyl-3-methyl-1-oxo-...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=CC2CCCCCCCCCCCC)C(O)=O |r,c:27|
Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33?,35+,36+,39-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM124255
PNG
((3S,3aR,4S,7R,7aS)-4-acetyl-7-dodecyl-3-methyl-1-o...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=C[C@H]2CCCCCCCCCCCC)C(O)=O |r,c:27|
Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33+,35+,36+,39-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM124256
PNG
((3S,3aR,4S,7aS)-4-acetyl-7-dodecyl-3-methyl-1-oxo-...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=CC2CCCCCCCCCCCC)C(O)=O |r,c:27|
Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33?,35+,36+,39-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM124255
PNG
((3S,3aR,4S,7R,7aS)-4-acetyl-7-dodecyl-3-methyl-1-o...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=C[C@H]2CCCCCCCCCCCC)C(O)=O |r,c:27|
Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33+,35+,36+,39-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50441777
PNG
(CHEMBL2436037)
Show SMILES OC(=O)c1ccc(F)cc1NC(=O)c1nc(sc1-c1ccccc1)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C43H35FN4O5S/c44-31-18-21-34(43(51)52)36(24-31)47-41(50)39-40(29-11-5-2-6-12-29)54-42(48-39)37(46-38(49)22-17-30-25-45-35-14-8-7-13-33(30)35)23-27-15-19-32(20-16-27)53-26-28-9-3-1-4-10-28/h1-16,18-21,24-25,37,45H,17,22-23,26H2,(H,46,49)(H,47,50)(H,51,52)/t37-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis


Eur J Med Chem 69: 399-412 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50068975
PNG
(CHEMBL3402413)
Show SMILES Brc1ccc(Br)c(c1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H20Br2O4S2/c24-18-10-11-21(25)20(13-18)23(27)28-12-4-2-1-3-5-16-6-8-17(9-7-16)22(26)29-19-14-30-31-15-19/h6-11,13,19H,1-2,4,12,14-15H2
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n/an/a 590n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50441784
PNG
(CHEMBL2436038)
Show SMILES OC(=O)c1ccc(Cl)cc1NC(=O)c1nc(sc1-c1ccccc1)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C43H35ClN4O5S/c44-31-18-21-34(43(51)52)36(24-31)47-41(50)39-40(29-11-5-2-6-12-29)54-42(48-39)37(46-38(49)22-17-30-25-45-35-14-8-7-13-33(30)35)23-27-15-19-32(20-16-27)53-26-28-9-3-1-4-10-28/h1-16,18-21,24-25,37,45H,17,22-23,26H2,(H,46,49)(H,47,50)(H,51,52)/t37-/m0/s1
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n/an/a 710n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis


Eur J Med Chem 69: 399-412 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50441781
PNG
(CHEMBL2436043)
Show SMILES OC(=O)c1ccc(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)c(F)c1 |r|
Show InChI InChI=1S/C43H35FN4O5S/c44-34-24-30(43(51)52)17-21-36(34)47-41(50)39-40(29-11-5-2-6-12-29)54-42(48-39)37(46-38(49)22-18-31-25-45-35-14-8-7-13-33(31)35)23-27-15-19-32(20-16-27)53-26-28-9-3-1-4-10-28/h1-17,19-21,24-25,37,45H,18,22-23,26H2,(H,46,49)(H,47,50)(H,51,52)/t37-/m0/s1
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n/an/a 770n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis


Eur J Med Chem 69: 399-412 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50441778
PNG
(CHEMBL2436032)
Show SMILES OC(=O)c1cccc(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)c1 |r|
Show InChI InChI=1S/C43H36N4O5S/c48-38(23-20-32-26-44-36-17-8-7-16-35(32)36)46-37(24-28-18-21-34(22-19-28)52-27-29-10-3-1-4-11-29)42-47-39(40(53-42)30-12-5-2-6-13-30)41(49)45-33-15-9-14-31(25-33)43(50)51/h1-19,21-22,25-26,37,44H,20,23-24,27H2,(H,45,49)(H,46,48)(H,50,51)/t37-/m0/s1
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n/an/a 1.01E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis


Eur J Med Chem 69: 399-412 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50441775
PNG
(CHEMBL2436042)
Show SMILES OC(=O)c1ccc(F)c(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)c1 |r|
Show InChI InChI=1S/C43H35FN4O5S/c44-34-21-17-30(43(51)52)24-36(34)47-41(50)39-40(29-11-5-2-6-12-29)54-42(48-39)37(46-38(49)22-18-31-25-45-35-14-8-7-13-33(31)35)23-27-15-19-32(20-16-27)53-26-28-9-3-1-4-10-28/h1-17,19-21,24-25,37,45H,18,22-23,26H2,(H,46,49)(H,47,50)(H,51,52)/t37-/m0/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis


Eur J Med Chem 69: 399-412 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50441779
PNG
(CHEMBL2436030)
Show SMILES OC(=O)c1cccc(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)C2CCCCC2)c1 |r|
Show InChI InChI=1S/C39H37N3O5S/c43-36(29-15-8-3-9-16-29)41-33(23-26-19-21-32(22-20-26)47-25-27-11-4-1-5-12-27)38-42-34(35(48-38)28-13-6-2-7-14-28)37(44)40-31-18-10-17-30(24-31)39(45)46/h1-2,4-7,10-14,17-22,24,29,33H,3,8-9,15-16,23,25H2,(H,40,44)(H,41,43)(H,45,46)/t33-/m0/s1
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n/an/a 1.17E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis


Eur J Med Chem 69: 399-412 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50441783
PNG
(CHEMBL2436039)
Show SMILES OC(=O)c1ccc(Br)cc1NC(=O)c1nc(sc1-c1ccccc1)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C43H35BrN4O5S/c44-31-18-21-34(43(51)52)36(24-31)47-41(50)39-40(29-11-5-2-6-12-29)54-42(48-39)37(46-38(49)22-17-30-25-45-35-14-8-7-13-33(30)35)23-27-15-19-32(20-16-27)53-26-28-9-3-1-4-10-28/h1-16,18-21,24-25,37,45H,17,22-23,26H2,(H,46,49)(H,47,50)(H,51,52)/t37-/m0/s1
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n/an/a 1.18E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis


Eur J Med Chem 69: 399-412 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50351780
PNG
(CHEMBL1823762)
Show SMILES OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccccc1Cl
Show InChI InChI=1S/C29H23ClFNO4/c30-25-7-3-1-5-20(25)12-14-28(33)32-27(29(34)35)16-19-9-10-22-17-24(13-11-21(22)15-19)36-18-23-6-2-4-8-26(23)31/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)/b14-12+
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n/an/a 1.25E+3n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 3630-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.027
BindingDB Entry DOI: 10.7270/Q2W09685
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50441776
PNG
(CHEMBL2436041)
Show SMILES OC(=O)c1cc(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)ccc1Cl |r|
Show InChI InChI=1S/C43H35ClN4O5S/c44-35-21-18-31(24-34(35)43(51)52)46-41(50)39-40(29-11-5-2-6-12-29)54-42(48-39)37(47-38(49)22-17-30-25-45-36-14-8-7-13-33(30)36)23-27-15-19-32(20-16-27)53-26-28-9-3-1-4-10-28/h1-16,18-21,24-25,37,45H,17,22-23,26H2,(H,46,50)(H,47,49)(H,51,52)/t37-/m0/s1
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n/an/a 1.42E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis


Eur J Med Chem 69: 399-412 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50441777
PNG
(CHEMBL2436037)
Show SMILES OC(=O)c1ccc(F)cc1NC(=O)c1nc(sc1-c1ccccc1)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C43H35FN4O5S/c44-31-18-21-34(43(51)52)36(24-31)47-41(50)39-40(29-11-5-2-6-12-29)54-42(48-39)37(46-38(49)22-17-30-25-45-35-14-8-7-13-33(30)35)23-27-15-19-32(20-16-27)53-26-28-9-3-1-4-10-28/h1-16,18-21,24-25,37,45H,17,22-23,26H2,(H,46,49)(H,47,50)(H,51,52)/t37-/m0/s1
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n/an/a 1.42E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of TCPTP (unknown origin)


Eur J Med Chem 69: 399-412 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1
More data for this
Ligand-Target Pair
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