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Compile Data Set for Download or QSAR

Found 175 hits with Last Name = 'ahn' and Initial = 'js'   
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))
BDBM50311254
PNG
(2-hydroxy-4-(2-hydroxy-6-pentadecyl-4-((2S,3R,4S,5...)
Show SMILES CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(O)=O)c(O)c1 |r|
Show InChI InChI=1S/C36H52O12/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18-25(47-36-33(42)32(41)31(40)28(21-37)48-36)20-27(39)30(23)35(45)46-24-17-22(2)29(34(43)44)26(38)19-24/h17-20,28,31-33,36-42H,3-16,21H2,1-2H3,(H,43,44)/t28-,31-,32+,33-,36-/m1/s1
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100n/an/an/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Competitive inhibition of PTP1B mediated pNPP hydrolysis by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 19: 6095-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.025
BindingDB Entry DOI: 10.7270/Q22J6BZQ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50155426
PNG
(1,3,5,8-Tetrahydroxy-xanthen-9-one | 1,3,5,8-tetra...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
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140n/an/an/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50155426
PNG
(1,3,5,8-Tetrahydroxy-xanthen-9-one | 1,3,5,8-tetra...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
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200n/a 200n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM59194
PNG
(4-aminothiazole, 2.0)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)N(=O)=O
Show InChI InChI=1S/C16H11ClN4O3S/c17-10-4-6-11(7-5-10)19-16-20-15(18)14(25-16)13(22)9-2-1-3-12(8-9)21(23)24/h1-8H,18H2,(H,19,20)
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660n/a 2.00E+3n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM59194
PNG
(4-aminothiazole, 2.0)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)N(=O)=O
Show InChI InChI=1S/C16H11ClN4O3S/c17-10-4-6-11(7-5-10)19-16-20-15(18)14(25-16)13(22)9-2-1-3-12(8-9)21(23)24/h1-8H,18H2,(H,19,20)
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690n/an/an/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50374277
PNG
(CHEMBL403094)
Show SMILES Oc1ccc-2c(c1)[C@@H]1Oc3ccccc3[C@@]3(O)CC(=O)c4c(O)cc(O)c-2c4[C@@H]13
Show InChI InChI=1S/C23H16O6/c24-10-5-6-11-12(7-10)22-21-20-18(11)14(25)8-15(26)19(20)16(27)9-23(21,28)13-3-1-2-4-17(13)29-22/h1-8,21-22,24-26,28H,9H2/t21-,22-,23-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B by Lineweaver-Burke plot


Bioorg Med Chem Lett 18: 772-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.036
BindingDB Entry DOI: 10.7270/Q25B03BB
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50104694
PNG
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O
Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3
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n/an/a 4.5n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 16: 3061-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.053
BindingDB Entry DOI: 10.7270/Q29024KF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311254
PNG
(2-hydroxy-4-(2-hydroxy-6-pentadecyl-4-((2S,3R,4S,5...)
Show SMILES CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(O)=O)c(O)c1 |r|
Show InChI InChI=1S/C36H52O12/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18-25(47-36-33(42)32(41)31(40)28(21-37)48-36)20-27(39)30(23)35(45)46-24-17-22(2)29(34(43)44)26(38)19-24/h17-20,28,31-33,36-42H,3-16,21H2,1-2H3,(H,43,44)/t28-,31-,32+,33-,36-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B mediated pNPP hydrolysis


Bioorg Med Chem Lett 19: 6095-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.025
BindingDB Entry DOI: 10.7270/Q22J6BZQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311256
PNG
(4-(2,4-dihydroxy-6-pentadecylbenzoyloxy)-2-hydroxy...)
Show SMILES CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(O)=O)c(O)c1
Show InChI InChI=1S/C30H42O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-23(31)19-25(32)28(22)30(36)37-24-17-21(2)27(29(34)35)26(33)20-24/h17-20,31-33H,3-16H2,1-2H3,(H,34,35)
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n/an/a 220n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B mediated pNPP hydrolysis


Bioorg Med Chem Lett 19: 6095-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.025
BindingDB Entry DOI: 10.7270/Q22J6BZQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50311254
PNG
(2-hydroxy-4-(2-hydroxy-6-pentadecyl-4-((2S,3R,4S,5...)
Show SMILES CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(O)=O)c(O)c1 |r|
Show InChI InChI=1S/C36H52O12/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18-25(47-36-33(42)32(41)31(40)28(21-37)48-36)20-27(39)30(23)35(45)46-24-17-22(2)29(34(43)44)26(38)19-24/h17-20,28,31-33,36-42H,3-16,21H2,1-2H3,(H,43,44)/t28-,31-,32+,33-,36-/m1/s1
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n/an/a 510n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of TCPTP


Bioorg Med Chem Lett 19: 6095-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.025
BindingDB Entry DOI: 10.7270/Q22J6BZQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311257
PNG
(2-hydroxy-6-pentadecyl-4-((2S,3R,4S,5S,6R)-3,4,5-t...)
Show SMILES CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(O)=O |r|
Show InChI InChI=1S/C28H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(17-21(30)23(19)27(34)35)36-28-26(33)25(32)24(31)22(18-29)37-28/h16-17,22,24-26,28-33H,2-15,18H2,1H3,(H,34,35)/t22-,24-,25+,26-,28-/m1/s1
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n/an/a 590n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B mediated pNPP hydrolysis


Bioorg Med Chem Lett 19: 6095-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.025
BindingDB Entry DOI: 10.7270/Q22J6BZQ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50155420
PNG
(1,5,8-Trihydroxy-3-methoxy-xanthen-9-one | BELLIDI...)
Show SMILES COc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O
Show InChI InChI=1S/C14H10O6/c1-19-6-4-9(17)11-10(5-6)20-14-8(16)3-2-7(15)12(14)13(11)18/h2-5,15-17H,1H3
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n/an/a 700n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM59195
PNG
(4-aminothiazole, 2.1)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H10Cl3N3OS/c17-8-1-4-10(5-2-8)21-16-22-15(20)14(24-16)13(23)11-6-3-9(18)7-12(11)19/h1-7H,20H2,(H,21,22)
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n/an/a 700n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50294526
PNG
(CHEMBL551842 | cid_73157 | lobaric acid)
Show SMILES CCCCCc1c2Oc3cc(OC)cc(C(=O)CCCC)c3C(=O)Oc2cc(O)c1C(O)=O
Show InChI InChI=1S/C25H28O8/c1-4-6-8-9-15-21(24(28)29)18(27)13-20-23(15)32-19-12-14(31-3)11-16(17(26)10-7-5-2)22(19)25(30)33-20/h11-13,27H,4-10H2,1-3H3,(H,28,29)
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n/an/a 870n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 2801-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.108
BindingDB Entry DOI: 10.7270/Q20P10ZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50179012
PNG
(CHEMBL382338 | Sanggenon G)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#6@H](-[#6@@H](-[#6]-1)-c1ccc(-[#8])cc1-[#8])-[#6](=O)-c1ccc(-[#8])cc1-[#8])-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1cc(-[#8])ccc1-[#8] |t:6|
Show InChI InChI=1S/C40H38O11/c1-19(2)4-3-5-20-12-26(24-9-6-22(42)15-30(24)45)36(39(49)25-10-7-23(43)16-31(25)46)28(13-20)37-32(47)18-35-38(40(37)50)33(48)17-34(51-35)27-14-21(41)8-11-29(27)44/h4,6-11,13-16,18,26,28,34,36,41-47,50H,3,5,12,17H2,1-2H3/t26-,28-,34-,36-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology (KRIBB)

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 1426-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.071
BindingDB Entry DOI: 10.7270/Q2JQ10KT
More data for this
Ligand-Target Pair
1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma-1


(Bos taurus)
BDBM50259930
PNG
(6-(10'Z-heptadecenyl)-salicylicacid | 6-[10'(Z)-he...)
Show SMILES CCCCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-
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n/an/a 2.22E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain PI-PLCgamma1


J Nat Prod 61: 867-71 (1998)


Article DOI: 10.1021/np970367q
BindingDB Entry DOI: 10.7270/Q25Q4VVG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM59201
PNG
(2,3-dihydro-1H-4-oxa-2,5-diazaphenanthrenes, 3.2)
Show SMILES Clc1cc2CN(Oc2c2ncccc12)C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C28H26ClN3O/c29-26-17-23-19-32(33-28(23)27-25(26)7-4-14-30-27)24-12-15-31(16-13-24)18-20-8-10-22(11-9-20)21-5-2-1-3-6-21/h1-11,14,17,24H,12-13,15-16,18-19H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM20732
PNG
((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2OC |r,w:16.16,6.6,t:28|
Show InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-11,13-14,17,22-24,26,32-34H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8?,15-11?,16-9?,18-13+/t17-,22-,23-,24+,26-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of yeast Hsp90 ATPase activity by ATPase assay using malachite malachite green colorimetric method


Bioorg Med Chem Lett 19: 4839-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.040
BindingDB Entry DOI: 10.7270/Q2N29X0S
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50294527
PNG
(3-(1-butyl-1,6-dimethoxy-3-oxo-1,3-dihydroisobenzo...)
Show SMILES CCCCCc1c(Oc2cc(OC)cc3c2C(=O)OC3(CCCC)OC)c(O)cc(O)c1C(O)=O
Show InChI InChI=1S/C26H32O9/c1-5-7-9-10-16-21(24(29)30)18(27)14-19(28)23(16)34-20-13-15(32-3)12-17-22(20)25(31)35-26(17,33-4)11-8-6-2/h12-14,27-28H,5-11H2,1-4H3,(H,29,30)
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n/an/a 2.48E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 2801-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.108
BindingDB Entry DOI: 10.7270/Q20P10ZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[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]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B mediated pNPP hydrolysis


Bioorg Med Chem Lett 19: 6095-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.025
BindingDB Entry DOI: 10.7270/Q22J6BZQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50179008
PNG
(CHEMBL204813 | sanggenon C)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6][C@]12[#8]-c3cc(-[#8])c(-[#6@H]-4-[#6]=[#6](-[#6])-[#6]-[#6@@H](-[#6@H]-4-[#6](=O)-c4ccc(-[#8])cc4-[#8])-c4ccc(-[#8])cc4-[#8])c(-[#8])c3-[#6](=O)[C@@]1([#8])[#8]-c1cc(-[#8])ccc21 |r,t:13|
Show InChI InChI=1S/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26+,33-,39-,40-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology (KRIBB)

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 1426-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.071
BindingDB Entry DOI: 10.7270/Q2JQ10KT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50303005
PNG
(CHEMBL570475 | kuwanon J)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-[#6](=O)-[#6@@H]-1-[#6@H](-[#6]-[#6](-[#6])=[#6]-[#6@@H]-1-c1c(-[#8])ccc(-[#6](=O)-[#6]=[#6]-c2ccc(-[#8])cc2-[#8])c1-[#8])-c1ccc(-[#8])cc1-[#8] |r,w:30.31,c:20|
Show InChI InChI=1S/C40H38O10/c1-20(2)4-9-27-34(46)16-23(17-35(27)47)39(49)37-29(26-10-8-25(42)19-36(26)48)14-21(3)15-30(37)38-32(44)13-11-28(40(38)50)31(43)12-6-22-5-7-24(41)18-33(22)45/h4-8,10-13,15-19,29-30,37,41-42,44-48,50H,9,14H2,1-3H3/t29-,30+,37-/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 19: 6759-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.102
BindingDB Entry DOI: 10.7270/Q2222VQF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50303004
PNG
(CHEMBL562810 | mulberrofuran W)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc(-[#8])cc1-c1cc2ccc(-[#8])cc2o1
Show InChI InChI=1S/C29H34O4/c1-19(2)7-5-8-20(3)9-6-10-21(4)11-14-25-26(16-24(31)17-27(25)32)29-15-22-12-13-23(30)18-28(22)33-29/h7,9,11-13,15-18,30-32H,5-6,8,10,14H2,1-4H3/b20-9-,21-11-
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n/an/a 2.70E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 19: 6759-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.102
BindingDB Entry DOI: 10.7270/Q2222VQF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50294530
PNG
(CHEMBL559457 | methyl 8-hydroxy-3-methoxy-11-oxo-1...)
Show SMILES CCCCCc1c2Oc3cc(OC)cc(C(=O)CCCC)c3C(=O)Oc2cc(O)c1C(=O)OC
Show InChI InChI=1S/C26H30O8/c1-5-7-9-10-16-22(25(29)32-4)19(28)14-21-24(16)33-20-13-15(31-3)12-17(18(27)11-8-6-2)23(20)26(30)34-21/h12-14,28H,5-11H2,1-4H3
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n/an/a 3.02E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 2801-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.108
BindingDB Entry DOI: 10.7270/Q20P10ZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[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]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 3.08E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 2801-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.108
BindingDB Entry DOI: 10.7270/Q20P10ZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50374277
PNG
(CHEMBL403094)
Show SMILES Oc1ccc-2c(c1)[C@@H]1Oc3ccccc3[C@@]3(O)CC(=O)c4c(O)cc(O)c-2c4[C@@H]13
Show InChI InChI=1S/C23H16O6/c24-10-5-6-11-12(7-10)22-21-20-18(11)14(25)8-15(26)19(20)16(27)9-23(21,28)13-3-1-2-4-17(13)29-22/h1-8,21-22,24-26,28H,9H2/t21-,22-,23-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 18: 772-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.036
BindingDB Entry DOI: 10.7270/Q25B03BB
More data for this
Ligand-Target Pair
1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma-1


(Bos taurus)
BDBM50242263
PNG
((Z)-3-(pentadec-8-enyl)phenol | 3-[8'(Z)-pentadece...)
Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(O)c1
Show InChI InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h7-8,15,17-19,22H,2-6,9-14,16H2,1H3/b8-7-
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n/an/a 3.51E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain PI-PLCgamma1 at 125 ug/mL


J Nat Prod 61: 867-71 (1998)


Article DOI: 10.1021/np970367q
BindingDB Entry DOI: 10.7270/Q25Q4VVG
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[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]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[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]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[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]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 19: 6759-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.102
BindingDB Entry DOI: 10.7270/Q2222VQF
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 3.90E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 16: 3273-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.036
BindingDB Entry DOI: 10.7270/Q2ZP46WV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50374279
PNG
(OHIOENSIN A)
Show SMILES Oc1ccc-2c(c1)[C@@H]1Oc3ccccc3[C@H]3CC(=O)c4c(O)cc(O)c-2c4[C@@H]13 |r|
Show InChI InChI=1S/C23H16O5/c24-10-5-6-12-14(7-10)23-20-13(11-3-1-2-4-18(11)28-23)8-15(25)21-17(27)9-16(26)19(12)22(20)21/h1-7,9,13,20,23-24,26-27H,8H2/t13-,20+,23+/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 18: 772-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.036
BindingDB Entry DOI: 10.7270/Q25B03BB
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50303006
PNG
(CHEMBL517247 | mulberrofuran D)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2cc(oc12)-c1cc(-[#8])cc(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C29H34O4/c1-18(2)7-6-8-20(5)10-13-24-26(31)14-11-21-15-28(33-29(21)24)25-16-22(30)17-27(32)23(25)12-9-19(3)4/h7,9-11,14-17,30-32H,6,8,12-13H2,1-5H3/b20-10+
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n/an/a 4.30E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 19: 6759-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.102
BindingDB Entry DOI: 10.7270/Q2222VQF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50104694
PNG
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O
Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50104694
PNG
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O
Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 16: 3273-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.036
BindingDB Entry DOI: 10.7270/Q2ZP46WV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50104694
PNG
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O
Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology (KRIBB)

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 1426-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.071
BindingDB Entry DOI: 10.7270/Q2JQ10KT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50104694
PNG
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O
Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50104694
PNG
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O
Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 18: 772-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.036
BindingDB Entry DOI: 10.7270/Q25B03BB
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50104694
PNG
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O
Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 19: 6759-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.102
BindingDB Entry DOI: 10.7270/Q2222VQF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50179010
PNG
(CHEMBL378806 | Mulberrofuran C)
Show SMILES CC1=C[C@H]([C@H]([C@@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1c(O)cc(cc1O)-c1cc2ccc(O)cc2o1 |t:1|
Show InChI InChI=1S/C34H28O9/c1-16-8-24(22-6-4-19(35)13-26(22)38)32(34(42)23-7-5-20(36)14-27(23)39)25(9-16)33-28(40)10-18(11-29(33)41)30-12-17-2-3-21(37)15-31(17)43-30/h2-7,9-15,24-25,32,35-41H,8H2,1H3/t24-,25+,32-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology (KRIBB)

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 1426-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.071
BindingDB Entry DOI: 10.7270/Q2JQ10KT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50185123
PNG
(3beta-hydroxyurs-12-en-27-oic acid | CHEMBL380467)
Show SMILES C[C@@H]1CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C |c:12|
Show InChI InChI=1S/C30H48O3/c1-18-10-13-27(5)16-17-30(25(32)33)20(24(27)19(18)2)8-9-22-28(6)14-12-23(31)26(3,4)21(28)11-15-29(22,30)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,23+,24+,27-,28+,29-,30-/m1/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 16: 3273-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.036
BindingDB Entry DOI: 10.7270/Q2ZP46WV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50185131
PNG
(3beta-hydroxyolean-12-en-27-oic acid | CHEMBL21097...)
Show SMILES CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1 |c:13|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-15-27(5)16-17-30(24(32)33)19(20(27)18-25)8-9-22-28(6)12-11-23(31)26(3,4)21(28)10-13-29(22,30)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 5.20E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 16: 3273-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.036
BindingDB Entry DOI: 10.7270/Q2ZP46WV
More data for this
Ligand-Target Pair
1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma-1


(Rattus norvegicus)
BDBM50259934
PNG
(5,7-diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxo-4H-c...)
Show SMILES CC(=O)c1cc2c(oc3cc(O)c(O)c(C(O)=O)c3c2=O)c(C(C)=O)c1-c1coc2cc(O)c(O)c(C(O)=O)c2c1=O |(20.43,6.8,;19.44,5.59,;17.89,5.83,;20.23,4.23,;21.56,5,;22.9,4.23,;22.9,2.7,;24.24,1.92,;25.57,2.7,;26.89,1.92,;28.22,2.7,;29.56,1.92,;28.22,4.23,;29.56,5,;26.89,5,;26.89,6.56,;28.24,7.35,;25.53,7.35,;25.57,4.23,;24.24,5,;24.24,6.56,;21.56,1.92,;21.56,.39,;20.23,-.38,;22.9,-.38,;20.23,2.7,;18.87,1.94,;18.85,.4,;17.49,-.34,;16.18,.44,;14.83,-.3,;13.52,.49,;12.17,-.25,;13.54,2.03,;12.22,2.82,;14.88,2.78,;14.9,4.35,;13.57,5.14,;16.27,5.1,;16.2,1.99,;17.56,2.73,;17.58,4.3,)|
Show InChI InChI=1S/C28H16O14/c1-7(29)9-3-10-22(33)19-15(5-13(32)25(36)21(19)28(39)40)42-26(10)16(8(2)30)17(9)11-6-41-14-4-12(31)24(35)20(27(37)38)18(14)23(11)34/h3-6,31-32,35-36H,1-2H3,(H,37,38)(H,39,40)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of rat brain PI-PLCgamma1


J Nat Prod 61: 867-71 (1998)


Article DOI: 10.1021/np970367q
BindingDB Entry DOI: 10.7270/Q25Q4VVG
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50374280
PNG
(CHEMBL403411)
Show SMILES O[C@@H]1[C@H]2[C@@H]3[C@@H](Oc4ccccc24)c2cccc(O)c2-c2c(O)cc(O)c(C1=O)c32
Show InChI InChI=1S/C23H16O6/c24-11-6-3-5-10-15(11)17-12(25)8-13(26)18-19(17)20-16(21(27)22(18)28)9-4-1-2-7-14(9)29-23(10)20/h1-8,16,20-21,23-27H/t16-,20+,21-,23+/m1/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 18: 772-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.036
BindingDB Entry DOI: 10.7270/Q25B03BB
More data for this
Ligand-Target Pair
1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma-1


(Bos taurus)
BDBM50242188
PNG
(6-(8'Z-pentadecenyl)-salicylicacid | 6-[8'(Z)-pent...)
Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-
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n/an/a 5.66E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain PI-PLCgamma1


J Nat Prod 61: 867-71 (1998)


Article DOI: 10.1021/np970367q
BindingDB Entry DOI: 10.7270/Q25Q4VVG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM59200
PNG
(2,3-dihydro-1H-4-oxa-2,5-diazaphenanthrenes, 3.1)
Show SMILES CC(=O)Nc1ccc(CN2CCC(CC2)N2Cc3cc(Cl)c4cccnc4c3O2)cc1
Show InChI InChI=1S/C24H25ClN4O2/c1-16(30)27-19-6-4-17(5-7-19)14-28-11-8-20(9-12-28)29-15-18-13-22(25)21-3-2-10-26-23(21)24(18)31-29/h2-7,10,13,20H,8-9,11-12,14-15H2,1H3,(H,27,30)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50370716
PNG
(CHEMBL1081157)
Show SMILES CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:13|
Show InChI InChI=1S/C30H46O3/c1-25(2)14-15-27(5)16-17-30(24(32)33)19(20(27)18-25)8-9-22-28(6)12-11-23(31)26(3,4)21(28)10-13-29(22,30)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27+,28-,29+,30+/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 16: 3273-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.036
BindingDB Entry DOI: 10.7270/Q2ZP46WV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50294525
PNG
(3-butyl-7-(2,4-dihydroxy-6-pentylphenoxy)-3,5-dime...)
Show SMILES CCCCCc1cc(O)cc(O)c1Oc1cc(OC)cc2c1C(=O)OC2(CCCC)OC
Show InChI InChI=1S/C25H32O7/c1-5-7-9-10-16-12-17(26)13-20(27)23(16)31-21-15-18(29-3)14-19-22(21)24(28)32-25(19,30-4)11-8-6-2/h12-15,26-27H,5-11H2,1-4H3
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n/an/a 6.86E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 2801-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.108
BindingDB Entry DOI: 10.7270/Q20P10ZF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50184543
PNG
(16-alphaH,17-isovaleryloxy-ent-kauran-19-oic acid ...)
Show SMILES CC(C)CC(=O)OC[C@H]1C[C@]23C[C@H]1CCC2[C@]1(C)CCC[C@](C)(C1CC3)C(O)=O
Show InChI InChI=1S/C25H40O4/c1-16(2)12-21(26)29-15-18-14-25-11-8-19-23(3,20(25)7-6-17(18)13-25)9-5-10-24(19,4)22(27)28/h16-20H,5-15H2,1-4H3,(H,27,28)/t17?,18-,19?,20?,23-,24-,25+/m1/s1
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n/an/a 7.10E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 16: 3061-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.053
BindingDB Entry DOI: 10.7270/Q29024KF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50294531
PNG
(CHEMBL562970 | methyl 3,8-dimethoxy-11-oxo-1-penta...)
Show SMILES CCCCCc1c2Oc3cc(OC)cc(C(=O)CCCC)c3C(=O)Oc2cc(OC)c1C(=O)OC
Show InChI InChI=1S/C27H32O8/c1-6-8-10-11-17-23(26(29)33-5)20(32-4)15-22-25(17)34-21-14-16(31-3)13-18(19(28)12-9-7-2)24(21)27(30)35-22/h13-15H,6-12H2,1-5H3
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n/an/a 7.42E+3n/an/an/an/an/an/a



Silla University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 2801-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.108
BindingDB Entry DOI: 10.7270/Q20P10ZF
More data for this
Ligand-Target Pair
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