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Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'wang' and Initial = 'gc'   
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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50233538
PNG
(18beta-glycyrrhetic acid | 3beta-hydroxy-11-oxoole...)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
Show InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
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n/an/a 8.80n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol usi...

J Nat Prod 79: 899-906 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00952
BindingDB Entry DOI: 10.7270/Q23200DM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50233538
PNG
(18beta-glycyrrhetic acid | 3beta-hydroxy-11-oxoole...)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
Show InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol usi...

J Nat Prod 79: 899-906 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00952
BindingDB Entry DOI: 10.7270/Q23200DM
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)		BDBM50498382
PNG
(CHEMBL3594250)
Show SMILES Oc1ccc(CNc2ccc(cc2)[N+]([O-])=O)cc1O
Show InChI InChI=1S/C13H12N2O4/c16-12-6-1-9(7-13(12)17)8-14-10-2-4-11(5-3-10)15(18)19/h1-7,14,16-17H,8H2
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n/an/a 620n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease isolated from Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol...

Bioorg Med Chem 23: 4508-4513 (2015)


Article DOI: 10.1016/j.bmc.2015.06.014
BindingDB Entry DOI: 10.7270/Q2T43X33
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50535797
PNG
(CHEMBL4532570)
Show SMILES [H][C@]1(OC1(C)C)[C@H](O)C[C@H](C)[C@@]1([H])CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C |r,t:18|
Show InChI InChI=1S/C30H48O3/c1-18(17-22(31)25-27(4,5)33-25)19-11-15-30(8)21-9-10-23-26(2,3)24(32)13-14-28(23,6)20(21)12-16-29(19,30)7/h9,18-20,22-23,25,31H,10-17H2,1-8H3/t18-,19+,20-,22+,23-,25-,28+,29+,30-/m0/s1
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n/an/a 690n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol usi...

J Nat Prod 79: 899-906 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00952
BindingDB Entry DOI: 10.7270/Q23200DM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50437699
PNG
(CHEMBL2409065)
Show SMILES CC(C)(O)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1 |r,t:14|
Show InChI InChI=1S/C30H48O5/c1-26(2)22-9-8-20-19(28(22,5)13-12-23(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-21(35-25(17)33)24(32)27(3,4)34/h8,17-19,21-24,31-32,34H,9-16H2,1-7H3/t17-,18-,19-,21+,22-,23-,24-,28+,29-,30+/m0/s1
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n/an/a 820n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol by ...

J Nat Prod 76: 1319-27 (2013)


Article DOI: 10.1021/np400260g
BindingDB Entry DOI: 10.7270/Q2JH3NMT
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM57506
PNG
((5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-1...)
Show SMILES C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C |t:16|
Show InChI InChI=1S/C30H50O4/c1-18(17-22(31)25(33)27(4,5)34)19-11-15-30(8)21-9-10-23-26(2,3)24(32)13-14-28(23,6)20(21)12-16-29(19,30)7/h9,18-20,22-23,25,31,33-34H,10-17H2,1-8H3/t18-,19-,20-,22+,23-,25-,28+,29-,30+/m0/s1
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n/an/a 880n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol usi...

J Nat Prod 79: 899-906 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00952
BindingDB Entry DOI: 10.7270/Q23200DM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50437698
PNG
(CHEMBL2409066)
Show SMILES CC(C)CC(=O)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]12C |r,t:15|
Show InChI InChI=1S/C30H48O4/c1-17(2)15-22(31)26(34)18(3)19-11-14-29(7)20-9-10-23-27(4,5)24(32)12-13-28(23,6)21(20)16-25(33)30(19,29)8/h9,17-19,21,23-25,32-33H,10-16H2,1-8H3/t18-,19+,21+,23+,24+,25-,28-,29-,30-/m1/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol by ...

J Nat Prod 76: 1319-27 (2013)


Article DOI: 10.1021/np400260g
BindingDB Entry DOI: 10.7270/Q2JH3NMT
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50535798
PNG
(CHEMBL4551399)
Show SMILES [H][C@]1(O[C@]1([H])C(O)C(C)(C)O)[C@H](C)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C |r,t:20|
Show InChI InChI=1S/C30H50O4/c1-17(23-24(34-23)25(32)27(4,5)33)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21-25,31-33H,10-16H2,1-8H3/t17-,18+,19+,21+,22-,23+,24+,25?,28-,29+,30-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol usi...

J Nat Prod 79: 899-906 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00952
BindingDB Entry DOI: 10.7270/Q23200DM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50535798
PNG
(CHEMBL4551399)
Show SMILES [H][C@]1(O[C@]1([H])C(O)C(C)(C)O)[C@H](C)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C |r,t:20|
Show InChI InChI=1S/C30H50O4/c1-17(23-24(34-23)25(32)27(4,5)33)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21-25,31-33H,10-16H2,1-8H3/t17-,18+,19+,21+,22-,23+,24+,25?,28-,29+,30-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol usi...

J Nat Prod 79: 899-906 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00952
BindingDB Entry DOI: 10.7270/Q23200DM
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)		BDBM50498382
PNG
(CHEMBL3594250)
Show SMILES Oc1ccc(CNc2ccc(cc2)[N+]([O-])=O)cc1O
Show InChI InChI=1S/C13H12N2O4/c16-12-6-1-9(7-13(12)17)8-14-10-2-4-11(5-3-10)15(18)19/h1-7,14,16-17H,8H2
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n/an/a 1.92E+3n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease in Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol method

Bioorg Med Chem 23: 4508-4513 (2015)


Article DOI: 10.1016/j.bmc.2015.06.014
BindingDB Entry DOI: 10.7270/Q2T43X33
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)		BDBM50498368
PNG
(CHEMBL3594254)
Show SMILES Oc1ccc(CNc2cccc(c2)[N+]([O-])=O)cc1O
Show InChI InChI=1S/C13H12N2O4/c16-12-5-4-9(6-13(12)17)8-14-10-2-1-3-11(7-10)15(18)19/h1-7,14,16-17H,8H2
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n/an/a 2.33E+3n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease isolated from Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol...

Bioorg Med Chem 23: 4508-4513 (2015)


Article DOI: 10.1016/j.bmc.2015.06.014
BindingDB Entry DOI: 10.7270/Q2T43X33
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50437699
PNG
(CHEMBL2409065)
Show SMILES CC(C)(O)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1 |r,t:14|
Show InChI InChI=1S/C30H48O5/c1-26(2)22-9-8-20-19(28(22,5)13-12-23(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-21(35-25(17)33)24(32)27(3,4)34/h8,17-19,21-24,31-32,34H,9-16H2,1-7H3/t17-,18-,19-,21+,22-,23-,24-,28+,29-,30+/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol by ...

J Nat Prod 76: 1319-27 (2013)


Article DOI: 10.1021/np400260g
BindingDB Entry DOI: 10.7270/Q2JH3NMT
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50437698
PNG
(CHEMBL2409066)
Show SMILES CC(C)CC(=O)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]12C |r,t:15|
Show InChI InChI=1S/C30H48O4/c1-17(2)15-22(31)26(34)18(3)19-11-14-29(7)20-9-10-23-27(4,5)24(32)12-13-28(23,6)21(20)16-25(33)30(19,29)8/h9,17-19,21,23-25,32-33H,10-16H2,1-8H3/t18-,19+,21+,23+,24+,25-,28-,29-,30-/m1/s1
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n/an/a 3.74E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol by ...

J Nat Prod 76: 1319-27 (2013)


Article DOI: 10.1021/np400260g
BindingDB Entry DOI: 10.7270/Q2JH3NMT
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50535799
PNG
(CHEMBL4529492)
Show SMILES [H][C@]1(OC1(C)C)[C@H](O)C[C@H](C)[C@@]1([H])CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C |r,t:18|
Show InChI InChI=1S/C30H50O3/c1-18(17-22(31)25-27(4,5)33-25)19-11-15-30(8)21-9-10-23-26(2,3)24(32)13-14-28(23,6)20(21)12-16-29(19,30)7/h9,18-20,22-25,31-32H,10-17H2,1-8H3/t18-,19+,20-,22+,23-,24-,25-,28+,29+,30-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol usi...

J Nat Prod 79: 899-906 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00952
BindingDB Entry DOI: 10.7270/Q23200DM
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))		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
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)		BDBM50498386
PNG
(CHEMBL3594251)
Show SMILES Oc1ccc(CNc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12N2O3/c16-13-7-1-10(2-8-13)9-14-11-3-5-12(6-4-11)15(17)18/h1-8,14,16H,9H2
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n/an/a 8.26E+3n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease isolated from Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol...

Bioorg Med Chem 23: 4508-4513 (2015)


Article DOI: 10.1016/j.bmc.2015.06.014
BindingDB Entry DOI: 10.7270/Q2T43X33
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
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)		BDBM50498368
PNG
(CHEMBL3594254)
Show SMILES Oc1ccc(CNc2cccc(c2)[N+]([O-])=O)cc1O
Show InChI InChI=1S/C13H12N2O4/c16-12-5-4-9(6-13(12)17)8-14-10-2-1-3-11(7-10)15(18)19/h1-7,14,16-17H,8H2
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n/an/a 9.52E+3n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease in Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol method

Bioorg Med Chem 23: 4508-4513 (2015)


Article DOI: 10.1016/j.bmc.2015.06.014
BindingDB Entry DOI: 10.7270/Q2T43X33
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50535796
PNG
(CHEMBL4575439)
Show SMILES [H][C@@]12C[C@@H](c3ccoc3)[C@]3(C)C[C@H](OC(C)=O)[C@]4([H])[C@@]5(C)C=CC(=O)C(C)(C)C5=C(O)C(=O)[C@@]4(C)[C@@]13O2 |r,c:22,t:30|
Show InChI InChI=1S/C28H32O7/c1-14(29)34-17-12-26(5)16(15-8-10-33-13-15)11-19-28(26,35-19)27(6)21(17)25(4)9-7-18(30)24(2,3)22(25)20(31)23(27)32/h7-10,13,16-17,19,21,31H,11-12H2,1-6H3/t16-,17-,19+,21+,25+,26-,27-,28+/m0/s1
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n/an/a 9.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol usi...

J Nat Prod 79: 899-906 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00952
BindingDB Entry DOI: 10.7270/Q23200DM
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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50437700
PNG
(CHEMBL2409063)
Show SMILES CCC(C)C(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2[C@H](C[C@@]3(C)[C@@H](C(=O)C=C3[C@]12C)c1ccoc1)OC(C)=O |r,c:15,28|
Show InChI InChI=1S/C33H42O7/c1-9-18(2)29(37)40-26-15-23-30(4,5)25(36)10-12-31(23,6)28-22(39-19(3)34)16-32(7)24(33(26,28)8)14-21(35)27(32)20-11-13-38-17-20/h10-14,17-18,22-23,26-28H,9,15-16H2,1-8H3/t18?,22-,23-,26+,27+,28+,31-,32+,33+/m0/s1
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Article
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n/an/a 1.14E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol by ...

J Nat Prod 76: 1319-27 (2013)


Article DOI: 10.1021/np400260g
BindingDB Entry DOI: 10.7270/Q2JH3NMT
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
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)		BDBM50498379
PNG
(CHEMBL3594256)
Show SMILES [O-][N+](=O)c1cccc(NCc2ccc3OCOc3c2)c1
Show InChI InChI=1S/C14H12N2O4/c17-16(18)12-3-1-2-11(7-12)15-8-10-4-5-13-14(6-10)20-9-19-13/h1-7,15H,8-9H2
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n/an/a 1.31E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease isolated from Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol...

Bioorg Med Chem 23: 4508-4513 (2015)


Article DOI: 10.1016/j.bmc.2015.06.014
BindingDB Entry DOI: 10.7270/Q2T43X33
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)		BDBM50498383
PNG
(CHEMBL3594257)
Show SMILES CN(C)c1ccc(CNc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H17N3O2/c1-17(2)14-8-6-12(7-9-14)11-16-13-4-3-5-15(10-13)18(19)20/h3-10,16H,11H2,1-2H3
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n/an/a 1.68E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease isolated from Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol...

Bioorg Med Chem 23: 4508-4513 (2015)


Article DOI: 10.1016/j.bmc.2015.06.014
BindingDB Entry DOI: 10.7270/Q2T43X33
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)		BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.84E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease isolated from Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol...

Bioorg Med Chem 23: 4508-4513 (2015)


Article DOI: 10.1016/j.bmc.2015.06.014
BindingDB Entry DOI: 10.7270/Q2T43X33
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)		BDBM50498370
PNG
(CHEMBL3594252)
Show SMILES [O-][N+](=O)c1ccc(NCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C13H11ClN2O2/c14-11-3-1-10(2-4-11)9-15-12-5-7-13(8-6-12)16(17)18/h1-8,15H,9H2
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n/an/a 1.95E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease isolated from Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol...

Bioorg Med Chem 23: 4508-4513 (2015)


Article DOI: 10.1016/j.bmc.2015.06.014
BindingDB Entry DOI: 10.7270/Q2T43X33
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))		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
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)		BDBM50498381
PNG
(CHEMBL3594253)
Show SMILES [O-][N+](=O)c1ccc(CNc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H11N3O4/c17-15(18)12-5-1-10(2-6-12)9-14-11-3-7-13(8-4-11)16(19)20/h1-8,14H,9H2
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n/an/a 2.63E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease isolated from Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol...

Bioorg Med Chem 23: 4508-4513 (2015)


Article DOI: 10.1016/j.bmc.2015.06.014
BindingDB Entry DOI: 10.7270/Q2T43X33
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)		BDBM50498386
PNG
(CHEMBL3594251)
Show SMILES Oc1ccc(CNc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12N2O3/c16-13-7-1-10(2-8-13)9-14-11-3-5-12(6-4-11)15(17)18/h1-8,14,16H,9H2
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n/an/a 2.81E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease in Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol method

Bioorg Med Chem 23: 4508-4513 (2015)


Article DOI: 10.1016/j.bmc.2015.06.014
BindingDB Entry DOI: 10.7270/Q2T43X33
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
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)		BDBM50498385
PNG
(CHEMBL3594261)
Show SMILES Oc1ccc(CNc2ccccc2[N+]([O-])=O)cc1O
Show InChI InChI=1S/C13H12N2O4/c16-12-6-5-9(7-13(12)17)8-14-10-3-1-2-4-11(10)15(18)19/h1-7,14,16-17H,8H2
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n/an/a 4.51E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease isolated from Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol...

Bioorg Med Chem 23: 4508-4513 (2015)


Article DOI: 10.1016/j.bmc.2015.06.014
BindingDB Entry DOI: 10.7270/Q2T43X33
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)		BDBM50498380
PNG
(CHEMBL3594255)
Show SMILES COc1ccc(CNc2cccc(c2)[N+]([O-])=O)cc1OC
Show InChI InChI=1S/C15H16N2O4/c1-20-14-7-6-11(8-15(14)21-2)10-16-12-4-3-5-13(9-12)17(18)19/h3-9,16H,10H2,1-2H3
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n/an/a 5.04E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease isolated from Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol...

Bioorg Med Chem 23: 4508-4513 (2015)


Article DOI: 10.1016/j.bmc.2015.06.014
BindingDB Entry DOI: 10.7270/Q2T43X33
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)		BDBM50498378
PNG
(CHEMBL3594258)
Show SMILES [O-][N+](=O)c1cccc(NCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C13H11ClN2O2/c14-11-6-4-10(5-7-11)9-15-12-2-1-3-13(8-12)16(17)18/h1-8,15H,9H2
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n/an/a 5.75E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease isolated from Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol...

Bioorg Med Chem 23: 4508-4513 (2015)


Article DOI: 10.1016/j.bmc.2015.06.014
BindingDB Entry DOI: 10.7270/Q2T43X33
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)		BDBM50498379
PNG
(CHEMBL3594256)
Show SMILES [O-][N+](=O)c1cccc(NCc2ccc3OCOc3c2)c1
Show InChI InChI=1S/C14H12N2O4/c17-16(18)12-3-1-2-11(7-12)15-8-10-4-5-13-14(6-10)20-9-19-13/h1-7,15H,8-9H2
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n/an/a 6.03E+4n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of urease in Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol method

Bioorg Med Chem 23: 4508-4513 (2015)


Article DOI: 10.1016/j.bmc.2015.06.014
BindingDB Entry DOI: 10.7270/Q2T43X33
More data for this
Ligand-Target Pair
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