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PubMed code 31738062

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531243
PNG
(CHEMBL4469442)
Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CCC(=C)[C@H](O)CC[C@@]21C[C@H](c2ccccc2)c2c(O)c(C=O)c(O)c(C=O)c2O1 |r|
Show InChI InChI=1S/C30H34O6/c1-17-9-10-22-23(14-29(22,2)3)30(12-11-24(17)33)13-19(18-7-5-4-6-8-18)25-27(35)20(15-31)26(34)21(16-32)28(25)36-30/h4-8,15-16,19,22-24,33-35H,1,9-14H2,2-3H3/t19-,22-,23+,24-,30-/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531243
PNG
(CHEMBL4469442)
Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CCC(=C)[C@H](O)CC[C@@]21C[C@H](c2ccccc2)c2c(O)c(C=O)c(O)c(C=O)c2O1 |r|
Show InChI InChI=1S/C30H34O6/c1-17-9-10-22-23(14-29(22,2)3)30(12-11-24(17)33)13-19(18-7-5-4-6-8-18)25-27(35)20(15-31)26(34)21(16-32)28(25)36-30/h4-8,15-16,19,22-24,33-35H,1,9-14H2,2-3H3/t19-,22-,23+,24-,30-/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531245
PNG
(CHEMBL4474641)
Show SMILES [H][C@]12C[C@@]3(O)[C@H](c4ccccc4)c4c(O)c(C=O)c(O)c(C=O)c4O[C@]3(C)C=C1[C@@H](CC[C@H]2C)C(C)C |r,c:30|
Show InChI InChI=1S/C30H34O6/c1-16(2)19-11-10-17(3)20-13-30(35)25(18-8-6-5-7-9-18)24-27(34)22(14-31)26(33)23(15-32)28(24)36-29(30,4)12-21(19)20/h5-9,12,14-17,19-20,25,33-35H,10-11,13H2,1-4H3/t17-,19+,20-,25-,29-,30-/m1/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531245
PNG
(CHEMBL4474641)
Show SMILES [H][C@]12C[C@@]3(O)[C@H](c4ccccc4)c4c(O)c(C=O)c(O)c(C=O)c4O[C@]3(C)C=C1[C@@H](CC[C@H]2C)C(C)C |r,c:30|
Show InChI InChI=1S/C30H34O6/c1-16(2)19-11-10-17(3)20-13-30(35)25(18-8-6-5-7-9-18)24-27(34)22(14-31)26(33)23(15-32)28(24)36-29(30,4)12-21(19)20/h5-9,12,14-17,19-20,25,33-35H,10-11,13H2,1-4H3/t17-,19+,20-,25-,29-,30-/m1/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531250
PNG
(CHEMBL4445427)
Show SMILES [H][C@@]12C\C=C(C)/[C@@H](O)CC[C@]3(C)[C@@H](c4ccccc4)c4c(O)c(C=O)c(O)c(C=O)c4O[C@@]3([H])[C@]1([H])C2(C)C |r,t:3|
Show InChI InChI=1S/C30H34O6/c1-16-10-11-20-24(29(20,2)3)28-30(4,13-12-21(16)33)23(17-8-6-5-7-9-17)22-26(35)18(14-31)25(34)19(15-32)27(22)36-28/h5-10,14-15,20-21,23-24,28,33-35H,11-13H2,1-4H3/b16-10-/t20-,21+,23+,24-,28+,30-/m1/s1
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n/an/a 9.20E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531250
PNG
(CHEMBL4445427)
Show SMILES [H][C@@]12C\C=C(C)/[C@@H](O)CC[C@]3(C)[C@@H](c4ccccc4)c4c(O)c(C=O)c(O)c(C=O)c4O[C@@]3([H])[C@]1([H])C2(C)C |r,t:3|
Show InChI InChI=1S/C30H34O6/c1-16-10-11-20-24(29(20,2)3)28-30(4,13-12-21(16)33)23(17-8-6-5-7-9-17)22-26(35)18(14-31)25(34)19(15-32)27(22)36-28/h5-10,14-15,20-21,23-24,28,33-35H,11-13H2,1-4H3/b16-10-/t20-,21+,23+,24-,28+,30-/m1/s1
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n/an/a 9.20E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531249
PNG
(CHEMBL4553740)
Show SMILES [H][C@]12C[C@]34O[C@]3([C@@H](CC[C@H]4C)C(C)C)[C@H](O)[C@@]1(C)Oc1c(C=O)c(O)c(C=O)c(O)c1[C@H]2c1ccccc1 |r|
Show InChI InChI=1S/C30H34O7/c1-15(2)20-11-10-16(3)29-12-21-22(17-8-6-5-7-9-17)23-25(34)18(13-31)24(33)19(14-32)26(23)36-28(21,4)27(35)30(20,29)37-29/h5-9,13-16,20-22,27,33-35H,10-12H2,1-4H3/t16-,20+,21-,22+,27-,28+,29-,30-/m1/s1
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n/an/a 1.07E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531249
PNG
(CHEMBL4553740)
Show SMILES [H][C@]12C[C@]34O[C@]3([C@@H](CC[C@H]4C)C(C)C)[C@H](O)[C@@]1(C)Oc1c(C=O)c(O)c(C=O)c(O)c1[C@H]2c1ccccc1 |r|
Show InChI InChI=1S/C30H34O7/c1-15(2)20-11-10-16(3)29-12-21-22(17-8-6-5-7-9-17)23-25(34)18(13-31)24(33)19(14-32)26(23)36-28(21,4)27(35)30(20,29)37-29/h5-9,13-16,20-22,27,33-35H,10-12H2,1-4H3/t16-,20+,21-,22+,27-,28+,29-,30-/m1/s1
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n/an/a 1.07E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531242
PNG
(CHEMBL4456002)
Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CCC(=C)[C@@H](O)CC[C@@]21C[C@H](c2ccccc2)c2c(O)c(C=O)c(O)c(C=O)c2O1 |r|
Show InChI InChI=1S/C30H34O6/c1-17-9-10-22-23(14-29(22,2)3)30(12-11-24(17)33)13-19(18-7-5-4-6-8-18)25-27(35)20(15-31)26(34)21(16-32)28(25)36-30/h4-8,15-16,19,22-24,33-35H,1,9-14H2,2-3H3/t19-,22-,23+,24+,30-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531242
PNG
(CHEMBL4456002)
Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CCC(=C)[C@@H](O)CC[C@@]21C[C@H](c2ccccc2)c2c(O)c(C=O)c(O)c(C=O)c2O1 |r|
Show InChI InChI=1S/C30H34O6/c1-17-9-10-22-23(14-29(22,2)3)30(12-11-24(17)33)13-19(18-7-5-4-6-8-18)25-27(35)20(15-31)26(34)21(16-32)28(25)36-30/h4-8,15-16,19,22-24,33-35H,1,9-14H2,2-3H3/t19-,22-,23+,24+,30-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531248
PNG
(CHEMBL4562591)
Show SMILES [H][C@]12CC(C)(C)[C@]1([H])C\C=C(C)/[C@H](O)CC[C@@]21C[C@H](c2ccccc2)c2c(O)c(C=O)c(O)c(C=O)c2O1 |r,t:10|
Show InChI InChI=1S/C30H34O6/c1-17-9-10-22-23(14-29(22,2)3)30(12-11-24(17)33)13-19(18-7-5-4-6-8-18)25-27(35)20(15-31)26(34)21(16-32)28(25)36-30/h4-9,15-16,19,22-24,33-35H,10-14H2,1-3H3/b17-9-/t19-,22-,23+,24-,30-/m1/s1
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n/an/a 1.19E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531248
PNG
(CHEMBL4562591)
Show SMILES [H][C@]12CC(C)(C)[C@]1([H])C\C=C(C)/[C@H](O)CC[C@@]21C[C@H](c2ccccc2)c2c(O)c(C=O)c(O)c(C=O)c2O1 |r,t:10|
Show InChI InChI=1S/C30H34O6/c1-17-9-10-22-23(14-29(22,2)3)30(12-11-24(17)33)13-19(18-7-5-4-6-8-18)25-27(35)20(15-31)26(34)21(16-32)28(25)36-30/h4-9,15-16,19,22-24,33-35H,10-14H2,1-3H3/b17-9-/t19-,22-,23+,24-,30-/m1/s1
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n/an/a 1.19E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531244
PNG
(CHEMBL4472595)
Show SMILES [H][C@]12C[C@@]3(O)[C@H](C)CC[C@@H](C(C)C)C3=C[C@@]1(C)Oc1c(C=O)c(O)c(C=O)c(O)c1[C@H]2c1ccccc1 |r,c:14|
Show InChI InChI=1S/C30H34O6/c1-16(2)19-11-10-17(3)30(35)13-23-24(18-8-6-5-7-9-18)25-27(34)20(14-31)26(33)21(15-32)28(25)36-29(23,4)12-22(19)30/h5-9,12,14-17,19,23-24,33-35H,10-11,13H2,1-4H3/t17-,19+,23-,24+,29-,30-/m1/s1
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n/an/a 1.89E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531244
PNG
(CHEMBL4472595)
Show SMILES [H][C@]12C[C@@]3(O)[C@H](C)CC[C@@H](C(C)C)C3=C[C@@]1(C)Oc1c(C=O)c(O)c(C=O)c(O)c1[C@H]2c1ccccc1 |r,c:14|
Show InChI InChI=1S/C30H34O6/c1-16(2)19-11-10-17(3)30(35)13-23-24(18-8-6-5-7-9-18)25-27(34)20(14-31)26(33)21(15-32)28(25)36-29(23,4)12-22(19)30/h5-9,12,14-17,19,23-24,33-35H,10-11,13H2,1-4H3/t17-,19+,23-,24+,29-,30-/m1/s1
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n/an/a 1.89E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531247
PNG
(CHEMBL4560923)
Show SMILES [H][C@@]12O[C@]3(C[C@]4([H])[C@H](C)CC[C@@H](C(C)C)[C@@]14O)[C@H](c1ccccc1)c1c(O)c(C=O)c(O)c(C=O)c1O[C@]23C |r|
Show InChI InChI=1S/C30H34O7/c1-15(2)20-11-10-16(3)21-12-29-23(17-8-6-5-7-9-17)22-25(34)18(13-31)24(33)19(14-32)26(22)36-28(29,4)27(37-29)30(20,21)35/h5-9,13-16,20-21,23,27,33-35H,10-12H2,1-4H3/t16-,20+,21-,23-,27+,28-,29-,30+/m1/s1
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n/an/a 1.91E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531247
PNG
(CHEMBL4560923)
Show SMILES [H][C@@]12O[C@]3(C[C@]4([H])[C@H](C)CC[C@@H](C(C)C)[C@@]14O)[C@H](c1ccccc1)c1c(O)c(C=O)c(O)c(C=O)c1O[C@]23C |r|
Show InChI InChI=1S/C30H34O7/c1-15(2)20-11-10-16(3)21-12-29-23(17-8-6-5-7-9-17)22-25(34)18(13-31)24(33)19(14-32)26(22)36-28(29,4)27(37-29)30(20,21)35/h5-9,13-16,20-21,23,27,33-35H,10-12H2,1-4H3/t16-,20+,21-,23-,27+,28-,29-,30+/m1/s1
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n/an/a 1.91E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531246
PNG
(CHEMBL4454352)
Show SMILES [H][C@@]12CCC(=C)[C@@H](O)CC[C@]3(C)[C@@H](c4ccccc4)c4c(O)c(C=O)c(O)c(C=O)c4O[C@@]3([H])[C@]1([H])C2(C)C |r|
Show InChI InChI=1S/C30H34O6/c1-16-10-11-20-24(29(20,2)3)28-30(4,13-12-21(16)33)23(17-8-6-5-7-9-17)22-26(35)18(14-31)25(34)19(15-32)27(22)36-28/h5-9,14-15,20-21,23-24,28,33-35H,1,10-13H2,2-4H3/t20-,21+,23+,24-,28+,30-/m1/s1
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n/an/a 2.28E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531251
PNG
(CHEMBL4448247)
Show SMILES [H][C@@]12CCC(=C)[C@H](O)CC[C@]3(C)[C@@H](c4ccccc4)c4c(O)c(C=O)c(O)c(C=O)c4O[C@@]3([H])[C@]1([H])C2(C)C |r|
Show InChI InChI=1S/C30H34O6/c1-16-10-11-20-24(29(20,2)3)28-30(4,13-12-21(16)33)23(17-8-6-5-7-9-17)22-26(35)18(14-31)25(34)19(15-32)27(22)36-28/h5-9,14-15,20-21,23-24,28,33-35H,1,10-13H2,2-4H3/t20-,21-,23+,24-,28+,30-/m1/s1
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n/an/a 2.28E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531251
PNG
(CHEMBL4448247)
Show SMILES [H][C@@]12CCC(=C)[C@H](O)CC[C@]3(C)[C@@H](c4ccccc4)c4c(O)c(C=O)c(O)c(C=O)c4O[C@@]3([H])[C@]1([H])C2(C)C |r|
Show InChI InChI=1S/C30H34O6/c1-16-10-11-20-24(29(20,2)3)28-30(4,13-12-21(16)33)23(17-8-6-5-7-9-17)22-26(35)18(14-31)25(34)19(15-32)27(22)36-28/h5-9,14-15,20-21,23-24,28,33-35H,1,10-13H2,2-4H3/t20-,21-,23+,24-,28+,30-/m1/s1
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n/an/a 2.28E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50531246
PNG
(CHEMBL4454352)
Show SMILES [H][C@@]12CCC(=C)[C@@H](O)CC[C@]3(C)[C@@H](c4ccccc4)c4c(O)c(C=O)c(O)c(C=O)c4O[C@@]3([H])[C@]1([H])C2(C)C |r|
Show InChI InChI=1S/C30H34O6/c1-16-10-11-20-24(29(20,2)3)28-30(4,13-12-21(16)33)23(17-8-6-5-7-9-17)22-26(35)18(14-31)25(34)19(15-32)27(22)36-28/h5-9,14-15,20-21,23-24,28,33-35H,1,10-13H2,2-4H3/t20-,21+,23+,24-,28+,30-/m1/s1
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n/an/a 2.28E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(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 4.07E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(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 4.07E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA

J Nat Prod 82: 3267-3278 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00333
BindingDB Entry DOI: 10.7270/Q2PG1W6G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%