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Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'dao' and Initial = 'tt'   
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))
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 3.10E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B after 30 mins


J Nat Prod 71: 1775-8 (2008)


Article DOI: 10.1021/np800298w
BindingDB Entry DOI: 10.7270/Q2TQ62F7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50346613
PNG
(CHEMBL470029 | Oleanonic Acid)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H46O3/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/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B after 30 mins


J Nat Prod 71: 1775-8 (2008)


Article DOI: 10.1021/np800298w
BindingDB Entry DOI: 10.7270/Q2TQ62F7
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



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins


Bioorg Med Chem 20: 6459-64 (2012)


Article DOI: 10.1016/j.bmc.2012.08.024
BindingDB Entry DOI: 10.7270/Q29C6ZHS
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



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after 30 mins


Bioorg Med Chem 19: 3378-83 (2011)


Article DOI: 10.1016/j.bmc.2011.04.037
BindingDB Entry DOI: 10.7270/Q2DF6RKT
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



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50241553
PNG
(CHEMBL486986 | pomolic acid)
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@]1(C)O)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23-,26+,27-,28-,29-,30+/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B after 30 mins


J Nat Prod 71: 1775-8 (2008)


Article DOI: 10.1021/np800298w
BindingDB Entry DOI: 10.7270/Q2TQ62F7
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 4.10E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B after 30 mins


J Nat Prod 71: 1775-8 (2008)


Article DOI: 10.1021/np800298w
BindingDB Entry DOI: 10.7270/Q2TQ62F7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311577
PNG
(CHEMBL561967 | Erybreadin B | erybraedin B)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2-[#6@@H]-3-[#8]-c4c(ccc5-[#8]C([#6])([#6])[#6]=[#6]-c45)-[#6@@H]-3-[#6]-[#8]-c12 |r,c:22|
Show InChI InChI=1S/C25H26O4/c1-14(2)5-6-16-20(26)9-7-18-22(16)27-13-19-15-8-10-21-17(23(15)28-24(18)19)11-12-25(3,4)29-21/h5,7-12,19,24,26H,6,13H2,1-4H3/t19-,24-/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
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



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50394207
PNG
(CHEMBL2159047)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@H]-1-[#6]-[#8]-c2cc(-[#8])cc(-[#8])c2-[#6]-1=O |r|
Show InChI InChI=1S/C21H22O5/c1-12(2)4-5-14-8-13(6-7-18(14)25-3)16-11-26-19-10-15(22)9-17(23)20(19)21(16)24/h4,6-10,16,22-23H,5,11H2,1-3H3/t16-/m1/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins


Bioorg Med Chem 20: 6459-64 (2012)


Article DOI: 10.1016/j.bmc.2012.08.024
BindingDB Entry DOI: 10.7270/Q29C6ZHS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311580
PNG
(CHEMBL1087148 | Erybreadin D)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2-[#6@@H]-3-[#8]-c4c(ccc5-[#6]=[#6]C([#6])([#6])[#8]-c45)-[#6@@H]-3-[#6]-[#8]-c12 |r,c:18|
Show InChI InChI=1S/C25H26O4/c1-14(2)5-7-17-20(26)10-9-18-22(17)27-13-19-16-8-6-15-11-12-25(3,4)29-21(15)24(16)28-23(18)19/h5-6,8-12,19,23,26H,7,13H2,1-4H3/t19-,23-/m0/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311582
PNG
(CHEMBL1086765 | Erybreadin C)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2-[#6@@H]-3-[#6]-[#8]-c4c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])ccc4-[#6@@H]-3-[#8]-c2cc1-[#8] |r|
Show InChI InChI=1S/C25H28O4/c1-14(2)5-7-16-11-19-20-13-28-24-17(8-6-15(3)4)21(26)10-9-18(24)25(20)29-23(19)12-22(16)27/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3/t20-,25-/m0/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
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 7.60E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B after 30 mins


J Nat Prod 71: 1775-8 (2008)


Article DOI: 10.1021/np800298w
BindingDB Entry DOI: 10.7270/Q2TQ62F7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50317432
PNG
(CHEMBL1098728 | NEORAUTENOL)
Show SMILES CC1(C)Oc2cc3OC[C@@H]4[C@@H](Oc5cc(O)ccc45)c3cc2C=C1 |r,c:26|
Show InChI InChI=1S/C20H18O4/c1-20(2)6-5-11-7-14-17(9-16(11)24-20)22-10-15-13-4-3-12(21)8-18(13)23-19(14)15/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311579
PNG
(CHEMBL551155 | folitenol)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2-[#6@@H]-3-[#8]-c4c(ccc5-[#8]C([#6])([#6])[#6]=[#6]-c45)-[#6@@H]-3-[#6]-[#8]-c2cc1-[#8] |r,c:19|
Show InChI InChI=1S/C25H26O4/c1-14(2)5-6-15-11-18-22(12-20(15)26)27-13-19-16-7-8-21-17(23(16)28-24(18)19)9-10-25(3,4)29-21/h5,7-12,19,24,26H,6,13H2,1-4H3/t19-,24-/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50394204
PNG
(CHEMBL2159045)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(ccc1-[#8])-c1coc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])ccc2c1=O
Show InChI InChI=1S/C25H26O4/c1-15(2)5-7-18-13-17(8-11-22(18)26)21-14-29-25-19(9-6-16(3)4)23(27)12-10-20(25)24(21)28/h5-6,8,10-14,26-27H,7,9H2,1-4H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins


Bioorg Med Chem 20: 6459-64 (2012)


Article DOI: 10.1016/j.bmc.2012.08.024
BindingDB Entry DOI: 10.7270/Q29C6ZHS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50253117
PNG
(19alpha,24-dihydroxyurs-12-en-3-on-28-oic acid | C...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H46O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-21,23,31,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,23-,25+,26-,27-,28-,29-,30+/m1/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B after 30 mins


J Nat Prod 71: 1775-8 (2008)


Article DOI: 10.1021/np800298w
BindingDB Entry DOI: 10.7270/Q2TQ62F7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311581
PNG
(CHEMBL1086764 | erysubin E)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc2-[#6@@H]3-[#8]-c4c(ccc5-[#8]C([#6])([#6])[#6]=[#6]-c45)[C@]3([#8])[#6]-[#8]-c2cc1-[#8] |r,c:19|
Show InChI InChI=1S/C25H26O5/c1-14(2)5-6-15-11-17-21(12-19(15)26)28-13-25(27)18-7-8-20-16(22(18)29-23(17)25)9-10-24(3,4)30-20/h5,7-12,23,26-27H,6,13H2,1-4H3/t23-,25+/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50253053
PNG
(CHEMBL493908 | rotungenic acid)
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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-23,31-32,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,22+,23-,25+,26-,27-,28-,29-,30+/m1/s1
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n/an/a 1.09E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B after 30 mins


J Nat Prod 71: 1775-8 (2008)


Article DOI: 10.1021/np800298w
BindingDB Entry DOI: 10.7270/Q2TQ62F7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50253075
PNG
(24-hydroxyursolic acid | CHEMBL522373)
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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1
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n/an/a 1.28E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B after 30 mins


J Nat Prod 71: 1775-8 (2008)


Article DOI: 10.1021/np800298w
BindingDB Entry DOI: 10.7270/Q2TQ62F7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50394206
PNG
(CHEMBL2159046)
Show SMILES COc1cc2OC(C)(C)C=Cc2cc1[C@H]1COc2cc(O)cc(O)c2C1=O |r,c:9|
Show InChI InChI=1S/C21H20O6/c1-21(2)5-4-11-6-13(17(25-3)9-16(11)27-21)14-10-26-18-8-12(22)7-15(23)19(18)20(14)24/h4-9,14,22-23H,10H2,1-3H3/t14-/m1/s1
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n/an/a 1.38E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins


Bioorg Med Chem 20: 6459-64 (2012)


Article DOI: 10.1016/j.bmc.2012.08.024
BindingDB Entry DOI: 10.7270/Q29C6ZHS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50349931
PNG
(CHEMBL1811971)
Show SMILES [#6]-[#8]-c1cc(-[#8])c(cc1-[#6]\[#6]=[#6](\[#6])-[#6])[C@]1([#8])[#6]-[#8]-c2cc(-[#8])ccc2-[#6]1=O |r|
Show InChI InChI=1S/C21H22O6/c1-12(2)4-5-13-8-16(17(23)10-18(13)26-3)21(25)11-27-19-9-14(22)6-7-15(19)20(21)24/h4,6-10,22-23,25H,5,11H2,1-3H3/t21-/m1/s1
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n/an/a 1.49E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after 30 mins


Bioorg Med Chem 19: 3378-83 (2011)


Article DOI: 10.1016/j.bmc.2011.04.037
BindingDB Entry DOI: 10.7270/Q2DF6RKT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50349924
PNG
(CHEMBL1811965)
Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@H]-1-[#6]-[#8]-c2cc(-[#8])ccc2-[#6]-1=O |r|
Show InChI InChI=1S/C22H24O5/c1-13(2)5-6-14-9-17(20(26-4)11-19(14)25-3)18-12-27-21-10-15(23)7-8-16(21)22(18)24/h5,7-11,18,23H,6,12H2,1-4H3/t18-/m1/s1
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n/an/a 1.52E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after 30 mins


Bioorg Med Chem 19: 3378-83 (2011)


Article DOI: 10.1016/j.bmc.2011.04.037
BindingDB Entry DOI: 10.7270/Q2DF6RKT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50218196
PNG
(3-beta,28-Dihydroxy-urs-12-ene | CHEMBL399873 | Uv...)
Show SMILES C[C@@H]1CC[C@]2(CO)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 |r,c:11|
Show InChI InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1
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n/an/a 1.56E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B after 30 mins


J Nat Prod 71: 1775-8 (2008)


Article DOI: 10.1021/np800298w
BindingDB Entry DOI: 10.7270/Q2TQ62F7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50213239
PNG
(7-Hydroxy-2-[4'-methoxy-3'-(3-methylbut-2-enyl)phe...)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C21H22O4/c1-13(2)4-5-14-10-15(6-9-19(14)24-3)20-12-18(23)17-8-7-16(22)11-21(17)25-20/h4,6-11,20,22H,5,12H2,1-3H3
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n/an/a 1.65E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after 30 mins


Bioorg Med Chem 19: 3378-83 (2011)


Article DOI: 10.1016/j.bmc.2011.04.037
BindingDB Entry DOI: 10.7270/Q2DF6RKT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50349927
PNG
(CHEMBL1811967)
Show SMILES [#6]-[#8]-c1cc(-[#8])c(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1-[#6]-[#8]-c2cc(-[#8])ccc2-[#6]-1=O
Show InChI InChI=1S/C21H22O5/c1-12(2)4-5-13-8-16(18(23)10-19(13)25-3)17-11-26-20-9-14(22)6-7-15(20)21(17)24/h4,6-10,17,22-23H,5,11H2,1-3H3
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n/an/a 1.72E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after 30 mins


Bioorg Med Chem 19: 3378-83 (2011)


Article DOI: 10.1016/j.bmc.2011.04.037
BindingDB Entry DOI: 10.7270/Q2DF6RKT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50394208
PNG
(CHEMBL2159048)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2c(occ(-c3ccc(-[#8])cc3-[#8])c2=O)c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]
Show InChI InChI=1S/C25H26O5/c1-14(2)5-7-16-11-20-24(29)21(18-10-8-17(26)12-22(18)27)13-30-25(20)19(23(16)28)9-6-15(3)4/h5-6,8,10-13,26-28H,7,9H2,1-4H3
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n/an/a 1.74E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins


Bioorg Med Chem 20: 6459-64 (2012)


Article DOI: 10.1016/j.bmc.2012.08.024
BindingDB Entry DOI: 10.7270/Q29C6ZHS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50253200
PNG
(CHEMBL493893 | spathodic acid)
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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@@H]1O)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O5/c1-25(2)13-15-30(24(34)35)16-14-28(5)18(22(30)23(25)33)7-8-20-26(3)11-10-21(32)27(4,17-31)19(26)9-12-29(20,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21+,22-,23+,26+,27-,28-,29-,30+/m1/s1
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n/an/a 1.88E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B after 30 mins


J Nat Prod 71: 1775-8 (2008)


Article DOI: 10.1021/np800298w
BindingDB Entry DOI: 10.7270/Q2TQ62F7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50212391
PNG
(5-deoxyabyssinin II | CHEMBL229670)
Show SMILES [#6]-[#8]-c1cc(cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C21H22O5/c1-12(2)4-5-13-8-14(9-20(25-3)21(13)24)18-11-17(23)16-7-6-15(22)10-19(16)26-18/h4,6-10,18,22,24H,5,11H2,1-3H3/t18-/m0/s1
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n/an/a 1.92E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after 30 mins


Bioorg Med Chem 19: 3378-83 (2011)


Article DOI: 10.1016/j.bmc.2011.04.037
BindingDB Entry DOI: 10.7270/Q2DF6RKT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311572
PNG
(CHEMBL1076430 | Erythribyssin A)
Show SMILES [#6]-[#8]-c1ccc2c(-[#8]-[#6@H]3-c4ccc(-[#8])cc4-[#8]-[#6][C@@]23[#8]-[#6])c1-[#6]\[#6]=[#6](\[#6])-[#6] |r|
Show InChI InChI=1S/C22H24O5/c1-13(2)5-7-15-18(24-3)10-9-17-20(15)27-21-16-8-6-14(23)11-19(16)26-12-22(17,21)25-4/h5-6,8-11,21,23H,7,12H2,1-4H3/t21-,22+/m0/s1
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n/an/a 1.93E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311578
PNG
(3,9-Dihydroxy-4-prenyl-[6aR;11aR]pterocarpan | CHE...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2-[#6@@H]-3-[#8]-c4cc(-[#8])ccc4-[#6@@H]-3-[#6]-[#8]-c12 |r|
Show InChI InChI=1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-15-19(14)23-10-16-13-6-4-12(21)9-18(13)24-20(15)16/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/m0/s1
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n/an/a 1.95E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311586
PNG
(CHEMBL1088462 | erystagallin A)
Show SMILES [#6]-[#8]-c1ccc2c(-[#8]-[#6@H]3-c4cc(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc4-[#8]-[#6][C@@]23[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] |r|
Show InChI InChI=1S/C26H30O5/c1-15(2)6-8-17-12-19-23(13-21(17)27)30-14-26(28)20-10-11-22(29-5)18(9-7-16(3)4)24(20)31-25(19)26/h6-7,10-13,25,27-28H,8-9,14H2,1-5H3/t25-,26+/m0/s1
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n/an/a 2.08E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50241416
PNG
((2S)-5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbu...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C25H28O5/c1-14(2)5-7-16-9-18(10-17(25(16)29)8-6-15(3)4)22-13-21(28)24-20(27)11-19(26)12-23(24)30-22/h5-6,9-12,22,26-27,29H,7-8,13H2,1-4H3/t22-/m0/s1
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n/an/a 2.26E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after 30 mins


Bioorg Med Chem 19: 3378-83 (2011)


Article DOI: 10.1016/j.bmc.2011.04.037
BindingDB Entry DOI: 10.7270/Q2DF6RKT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50394205
PNG
(CHEMBL2159049)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8]-[#6](-[#6]-c2c(-[#8])c2c1occ(-c1ccc(-[#8])cc1)c2=O)C([#6])([#6])[#8]
Show InChI InChI=1S/C25H26O6/c1-13(2)5-10-16-23-17(11-19(31-23)25(3,4)29)21(27)20-22(28)18(12-30-24(16)20)14-6-8-15(26)9-7-14/h5-9,12,19,26-27,29H,10-11H2,1-4H3
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n/an/a 2.42E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins


Bioorg Med Chem 20: 6459-64 (2012)


Article DOI: 10.1016/j.bmc.2012.08.024
BindingDB Entry DOI: 10.7270/Q29C6ZHS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50213251
PNG
((rac)-7-hydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C20H20O4/c1-12(2)3-4-13-9-14(5-8-17(13)22)19-11-18(23)16-7-6-15(21)10-20(16)24-19/h3,5-10,19,21-22H,4,11H2,1-2H3
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n/an/a 2.92E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after 30 mins


Bioorg Med Chem 19: 3378-83 (2011)


Article DOI: 10.1016/j.bmc.2011.04.037
BindingDB Entry DOI: 10.7270/Q2DF6RKT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311585
PNG
(CHEMBL455372 | Erythrabyssin II | erybraedin C)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2-[#6@@H]-3-[#8]-c4c(ccc(-[#8])c4-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H]-3-[#6]-[#8]-c2cc1-[#8] |r|
Show InChI InChI=1S/C25H28O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3/t20-,25-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50253118
PNG
(24-hydroxy-3-epi-oleanolic acid | CHEMBL492472 | S...)
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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23+,26-,27+,28+,29+,30-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B after 30 mins


J Nat Prod 71: 1775-8 (2008)


Article DOI: 10.1021/np800298w
BindingDB Entry DOI: 10.7270/Q2TQ62F7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50253119
PNG
(3alpha,24,29-Trihydroxyolean-12-en-28-oic acid | C...)
Show SMILES C[C@@]1(CO)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:11|
Show InChI InChI=1S/C30H48O5/c1-25(17-31)12-14-30(24(34)35)15-13-28(4)19(20(30)16-25)6-7-22-26(2)10-9-23(33)27(3,18-32)21(26)8-11-29(22,28)5/h6,20-23,31-33H,7-18H2,1-5H3,(H,34,35)/t20-,21+,22+,23+,25+,26-,27+,28+,29+,30-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B after 30 mins


J Nat Prod 71: 1775-8 (2008)


Article DOI: 10.1021/np800298w
BindingDB Entry DOI: 10.7270/Q2TQ62F7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311573
PNG
(CHEMBL1079406 | Erythribyssin B)
Show SMILES Oc1ccc2[C@@H]3Oc4c(ccc(O)c4C=O)[C@@H]3COc2c1 |r|
Show InChI InChI=1S/C16H12O5/c17-6-11-13(19)4-3-9-12-7-20-14-5-8(18)1-2-10(14)16(12)21-15(9)11/h1-6,12,16,18-19H,7H2/t12-,16-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311574
PNG
(CHEMBL1079407 | Erythribyssin C)
Show SMILES [#6]-[#8]-c1cc2-[#6@@H]-3-[#6]-[#8]-c4cc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])cc4-[#6@@H]-3-[#8]-c2cc1-[#8] |r|
Show InChI InChI=1S/C22H24O5/c1-12(2)5-6-13-7-15-19(10-18(13)24-3)26-11-16-14-8-21(25-4)17(23)9-20(14)27-22(15)16/h5,7-10,16,22-23H,6,11H2,1-4H3/t16-,22-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311575
PNG
(CHEMBL1079408 | Eryvarin K)
Show SMILES [#6]-[#8]-c1cc2-[#6@@H]-3-[#6]-[#8]-c4cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])cc4-[#6@@H]-3-[#8]-c2cc1-[#8] |r|
Show InChI InChI=1S/C21H22O5/c1-11(2)4-5-12-6-14-18(8-16(12)22)25-10-15-13-7-20(24-3)17(23)9-19(13)26-21(14)15/h4,6-9,15,21-23H,5,10H2,1-3H3/t15-,21-/m0/s1
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Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311584
PNG
(CHEMBL1088321 | Sophorapterocarpan A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2-[#6@@H]-3-[#6]-[#8]-c4cc(-[#8])ccc4-[#6@@H]-3-[#8]-c2cc1-[#8] |r|
Show InChI InChI=1S/C20H20O4/c1-11(2)3-4-12-7-15-16-10-23-18-8-13(21)5-6-14(18)20(16)24-19(15)9-17(12)22/h3,5-9,16,20-22H,4,10H2,1-2H3/t16-,20-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311583
PNG
(Abyssinone II | CHEMBL508534 | phaseolidin | phase...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8]-[#6@@H]-3-[#6@@H](-[#6]-[#8]-c4cc(-[#8])ccc-34)-c2ccc1-[#8] |r|
Show InChI InChI=1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50253052
PNG
(24-hydroxy-3-epi-ursolic acid | CHEMBL493907)
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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23-,24+,26+,27-,28-,29-,30+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B after 30 mins


J Nat Prod 71: 1775-8 (2008)


Article DOI: 10.1021/np800298w
BindingDB Entry DOI: 10.7270/Q2TQ62F7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50253051
PNG
(CHEMBL523209 | barbinervic acid)
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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-23,31-32,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,22-,23-,25+,26-,27-,28-,29-,30+/m1/s1
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Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B after 30 mins


J Nat Prod 71: 1775-8 (2008)


Article DOI: 10.1021/np800298w
BindingDB Entry DOI: 10.7270/Q2TQ62F7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50253029
PNG
(CHEMBL492458 | coussaric acid)
Show SMILES C[C@]1(O)[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CCC1=C)C(O)=O |r,t:4|
Show InChI InChI=1S/C30H46O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,20-23,31-32,35H,1,8-17H2,2-6H3,(H,33,34)/t20-,21-,22-,23-,25+,26-,27-,28-,29-,30+/m1/s1
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Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B after 30 mins


J Nat Prod 71: 1775-8 (2008)


Article DOI: 10.1021/np800298w
BindingDB Entry DOI: 10.7270/Q2TQ62F7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50253028
PNG
(3alpha,19alpha-dihydroxyurs-12-en-24,28-dioic acid...)
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@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@]1(C)O)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H46O6/c1-17-9-14-30(24(34)35)16-15-26(3)18(22(30)29(17,6)36)7-8-19-25(2)12-11-21(31)28(5,23(32)33)20(25)10-13-27(19,26)4/h7,17,19-22,31,36H,8-16H2,1-6H3,(H,32,33)(H,34,35)/t17-,19-,20-,21-,22-,25-,26-,27-,28-,29-,30+/m1/s1
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Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B after 30 mins


J Nat Prod 71: 1775-8 (2008)


Article DOI: 10.1021/np800298w
BindingDB Entry DOI: 10.7270/Q2TQ62F7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50253027
PNG
(3alpha,19alpha-dihydroxyurs-12,20(30)-dien-24,28-d...)
Show SMILES C[C@]1(O)[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CCC1=C)C(O)=O)C(O)=O |r,t:4|
Show InChI InChI=1S/C30H44O6/c1-17-9-14-30(24(34)35)16-15-26(3)18(22(30)29(17,6)36)7-8-19-25(2)12-11-21(31)28(5,23(32)33)20(25)10-13-27(19,26)4/h7,19-22,31,36H,1,8-16H2,2-6H3,(H,32,33)(H,34,35)/t19-,20-,21-,22-,25-,26-,27-,28-,29-,30+/m1/s1
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Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B after 30 mins


J Nat Prod 71: 1775-8 (2008)


Article DOI: 10.1021/np800298w
BindingDB Entry DOI: 10.7270/Q2TQ62F7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50394209
PNG
(CHEMBL2159050)
Show SMILES COC(C(O)C(C)(C)O)c1c2OC(C)(C)C=Cc2c(O)c2c1occ(-c1ccc(O)cc1)c2=O |c:15|
Show InChI InChI=1S/C26H28O8/c1-25(2)11-10-15-19(28)17-20(29)16(13-6-8-14(27)9-7-13)12-33-22(17)18(21(15)34-25)23(32-5)24(30)26(3,4)31/h6-12,23-24,27-28,30-31H,1-5H3
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Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins


Bioorg Med Chem 20: 6459-64 (2012)


Article DOI: 10.1016/j.bmc.2012.08.024
BindingDB Entry DOI: 10.7270/Q29C6ZHS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50349928
PNG
(CHEMBL1811968)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(cc2-[#6]-[#6](-[#8])C([#6])([#6])[#8]-c12)-[#6@@H]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C25H28O5/c1-14(2)5-6-15-9-16(10-17-11-23(28)25(3,4)30-24(15)17)21-13-20(27)19-8-7-18(26)12-22(19)29-21/h5,7-10,12,21,23,26,28H,6,11,13H2,1-4H3/t21-,23?/m0/s1
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n/an/a 3.58E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after 30 mins


Bioorg Med Chem 19: 3378-83 (2011)


Article DOI: 10.1016/j.bmc.2011.04.037
BindingDB Entry DOI: 10.7270/Q2DF6RKT
More data for this
Ligand-Target Pair
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