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Compile Data Set for Download or QSAR

Found 128 hits with Last Name = 'song' and Initial = 'yh'   
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
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50134709
PNG
(CHEMBL3747057)
Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O |r,c:16|
Show InChI InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1
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 1.5n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Time dependent inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate measured every 30 secs by Morrison and Walsh...

Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50134709
PNG
(CHEMBL3747057)
Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O |r,c:16|
Show InChI InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1
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 19n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...

Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50134709
PNG
(CHEMBL3747057)
Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O |r,c:16|
Show InChI InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1
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 130n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 to 60 mins by Lineweaver-Burk and ...

Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50134710
PNG
(CHEMBL3745886)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6]-2-[#6]-[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=O)c1-[#8]
Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-12,19,26-29H,4,6,8,13H2,1-3H3/b15-7+
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 151n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Time dependent inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate measured every 30 secs by Morrison and Walsh...

Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50366237
PNG
(GAMBOGIC ACID)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#8]-c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c3-[#8][C@@]45[#6@H]6-[#6]-[#6@@H](-[#6]=[#6]4-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-[#6](=O)[C@]5([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#8]C6([#6])[#6] |r,c:22,33,TLB:22:21:18:42.43,THB:33:32:18:42.43,43:19:23.22:34.32|
Show InChI InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27+,36-,37+,38-/m1/s1
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 190n/an/an/an/an/an/an/an/a



Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate by Dixon plot analysis

Bioorg Med Chem 25: 2498-2506 (2017)


Article DOI: 10.1016/j.bmc.2017.03.010
BindingDB Entry DOI: 10.7270/Q2Q81GHS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256793
PNG
(CHEMBL4095800)
Show SMILES [H][C@@]12[#6][C@@]3([H])[#6@H](-[#8]-[#6])-[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]=[#6][C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3=O |r,c:15,TLB:5:3:45.44:35,34:35:2.3.48:45.44,37:36:1.2:8.5,9:8:1.2:48.36,THB:6:5:1.2:48.36,8:35:2.3.48:45.44,49:48:45.44:35,49:48:1.2:8.5,45:1:48.36:8.5|
Show InChI InChI=1S/C39H48O9/c1-20(2)11-10-16-37(8)17-15-23-29(40)27-30(41)28-33(45-9)25-19-26-36(6,7)48-38(34(25)42,18-14-22(5)35(43)44)39(26,28)47-32(27)24(31(23)46-37)13-12-21(3)4/h11-12,14-15,17,25-26,28,33,40H,10,13,16,18-19H2,1-9H3,(H,43,44)/b22-14-/t25-,26-,28?,33-,37+,38-,39-/m0/s1
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 300n/an/an/an/an/an/an/an/a



Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate by Dixon plot analysis

Bioorg Med Chem 25: 2498-2506 (2017)


Article DOI: 10.1016/j.bmc.2017.03.010
BindingDB Entry DOI: 10.7270/Q2Q81GHS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256807
PNG
(CHEMBL4069859)
Show SMILES [H][C@@]12[#6][C@@]3([H])[#6@H](-[#8]-[#6])-[#6]4-[#6](=O)-c5c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3=O |r,TLB:34:35:2.3.48:45.44,9:8:1.2:48.36,5:3:45.44:35,37:36:1.2:8.5,THB:6:5:1.2:48.36,45:1:48.36:8.5,8:35:2.3.48:45.44,49:48:45.44:35,49:48:1.2:8.5|
Show InChI InChI=1S/C39H50O9/c1-20(2)11-10-12-22(5)14-16-24-30(40)25(15-13-21(3)4)33-28(31(24)41)32(42)29-34(46-9)26-19-27-37(7,8)48-38(35(26)43,39(27,29)47-33)18-17-23(6)36(44)45/h11,13-14,17,26-27,29,34,40-41H,10,12,15-16,18-19H2,1-9H3,(H,44,45)/b22-14+,23-17-/t26-,27-,29?,34-,38-,39-/m0/s1
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 390n/an/an/an/an/an/an/an/a



Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 60 mins followed by ...

Bioorg Med Chem 25: 2498-2506 (2017)


Article DOI: 10.1016/j.bmc.2017.03.010
BindingDB Entry DOI: 10.7270/Q2Q81GHS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50366237
PNG
(GAMBOGIC ACID)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#8]-c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c3-[#8][C@@]45[#6@H]6-[#6]-[#6@@H](-[#6]=[#6]4-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-[#6](=O)[C@]5([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#8]C6([#6])[#6] |r,c:22,33,TLB:22:21:18:42.43,THB:33:32:18:42.43,43:19:23.22:34.32|
Show InChI InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27+,36-,37+,38-/m1/s1
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 499n/an/an/an/an/an/an/an/a



Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 60 mins followed by ...

Bioorg Med Chem 25: 2498-2506 (2017)


Article DOI: 10.1016/j.bmc.2017.03.010
BindingDB Entry DOI: 10.7270/Q2Q81GHS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256792
PNG
(Gambogenic Acid)
Show SMILES [H][C@@]12[#6][C@@]3([H])[#6]=[#6]4-[#6](=O)-c5c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3=O |r,t:5,TLB:47:46:6.5:1.2,32:33:42.43:46.3.2,42:34:6.5:1.2,5:3:33:42.43,THB:47:46:33:42.43,7:6:34.46:1.2,43:1:6.5:34.46|
Show InChI InChI=1S/C38H46O8/c1-20(2)10-9-11-22(5)13-15-25-30(39)26(14-12-21(3)4)33-29(31(25)40)32(41)27-18-24-19-28-36(7,8)46-37(34(24)42,38(27,28)45-33)17-16-23(6)35(43)44/h10,12-13,16,18,24,28,39-40H,9,11,14-15,17,19H2,1-8H3,(H,43,44)/b22-13+,23-16-/t24-,28+,37+,38-/m1/s1
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 1.21E+3n/an/an/an/an/an/an/an/a



Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 60 mins followed by ...

Bioorg Med Chem 25: 2498-2506 (2017)


Article DOI: 10.1016/j.bmc.2017.03.010
BindingDB Entry DOI: 10.7270/Q2Q81GHS
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)		BDBM50241453
PNG
(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3
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 1.40E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256790
PNG
(CHEMBL4068566)
Show SMILES [H][C@@]12[#6][C@@]3([H])[#6]=[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]=[#6]C([#6])([#6])[#8]-c6c(-[#6]\[#6]=[#6](/[#6])-[#6])c5-[#8][C@@]14[C@]([#8]C2([#6])[#6])(\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#6]3=O |r,c:13,t:5,TLB:27:28:30.31:40.3.2,30:29:6.5:1.2,41:40:6.5:1.2,5:3:28:30.31,THB:31:1:6.5:29.40,7:6:29.40:1.2,41:40:28:30.31,34:29:6.5:1.2|
Show InChI InChI=1S/C32H34O8/c1-15(2)8-9-19-25-18(10-11-29(4,5)38-25)23(33)22-24(34)20-12-17-13-21-30(6,7)40-31(27(17)35,14-16(3)28(36)37)32(20,21)39-26(19)22/h8,10-12,14,17,21,33H,9,13H2,1-7H3,(H,36,37)/b16-14-/t17-,21+,31+,32-/m1/s1
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 1.49E+3n/an/an/an/an/an/an/an/a



Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 60 mins followed by ...

Bioorg Med Chem 25: 2498-2506 (2017)


Article DOI: 10.1016/j.bmc.2017.03.010
BindingDB Entry DOI: 10.7270/Q2Q81GHS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256791
PNG
(CHEMBL4090412)
Show SMILES [H][C@@]12[#6][C@@]3([H])[#6@H](-[#8]-[#6])-[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]=[#6]C([#6])([#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3=O |r,c:15,TLB:6:5:31.43:2.1,44:43:8.5:2.1,THB:40:1:31.43:8.5,9:8:31.43:2.1,32:31:8.5:2.1|
Show InChI InChI=1S/C34H40O9/c1-16(2)9-10-19-26-18(12-13-31(4,5)41-26)24(35)22-25(36)23-28(40-8)20-15-21-32(6,7)43-33(29(20)37,14-11-17(3)30(38)39)34(21,23)42-27(19)22/h9,11-13,20-21,23,28,35H,10,14-15H2,1-8H3,(H,38,39)/b17-11-/t20-,21-,23?,28-,33-,34-/m0/s1
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 1.75E+3n/an/an/an/an/an/an/an/a



Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate by Dixon plot analysis

Bioorg Med Chem 25: 2498-2506 (2017)


Article DOI: 10.1016/j.bmc.2017.03.010
BindingDB Entry DOI: 10.7270/Q2Q81GHS
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50134710
PNG
(CHEMBL3745886)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6]-2-[#6]-[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=O)c1-[#8]
Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-12,19,26-29H,4,6,8,13H2,1-3H3/b15-7+
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 1.80E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...

Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50454316
PNG
(CHEMBL4211682)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]-[#6](-[#8])-[#6](-[#6])=[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O
Show InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)9-11-19-25(31)21(14-22(30)16(3)4)27(33)24-26(32)20-13-18(29)10-12-23(20)34-28(19)24/h7,9-10,12-13,22,29-31,33H,3,6,8,11,14H2,1-2,4-5H3/b17-9+
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 2.10E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50454316
PNG
(CHEMBL4211682)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]-[#6](-[#8])-[#6](-[#6])=[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O
Show InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)9-11-19-25(31)21(14-22(30)16(3)4)27(33)24-26(32)20-13-18(29)10-12-23(20)34-28(19)24/h7,9-10,12-13,22,29-31,33H,3,6,8,11,14H2,1-2,4-5H3/b17-9+
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 2.40E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Time dependent inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate preincubated with enz...

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50442401
PNG
(CHEMBL2442947)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2occ(-c3ccc(-[#8])c(-[#8])c3)c(=O)c2c1-[#8]
Show InChI InChI=1S/C25H26O6/c1-13(2)5-8-16-22(28)17(9-6-14(3)4)25-21(23(16)29)24(30)18(12-31-25)15-7-10-19(26)20(27)11-15/h5-7,10-12,26-29H,8-9H2,1-4H3
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 2.50E+3n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot

Bioorg Med Chem Lett 26: 318-21 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.021
BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50241453
PNG
(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3
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 2.70E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50346335
PNG
(CHEMBL1782241 | Cochinchinone A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O
Show InChI InChI=1S/C28H32O5/c1-16(2)7-6-8-18(5)10-13-21-25(30)20(12-9-17(3)4)26(31)24-27(32)22-15-19(29)11-14-23(22)33-28(21)24/h7,9-11,14-15,29-31H,6,8,12-13H2,1-5H3/b18-10+
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 3.10E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50214969
PNG
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
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 3.20E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50136569
PNG
(CHEMBL3754629)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6]-[#6](=O)-[#6]-2=[#6](-[#8])-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]3-[#8]C([#6])([#6])[#6]=[#6]C3([#6]\[#6]=[#6](\[#6])-[#6])[#6]-2=O)cc1 |c:10,24,t:18|
Show InChI InChI=1S/C31H38O5/c1-20(2)8-14-24-27(33)26(25(32)15-11-22-9-12-23(35-7)13-10-22)28(34)31(17-16-21(3)4)19-18-30(5,6)36-29(24)31/h8-10,12-13,16,18-19,33H,11,14-15,17H2,1-7H3
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 3.40E+3n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot

Bioorg Med Chem Lett 26: 318-21 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.021
BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50454321
PNG
(CHEMBL4208135)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]C([#6])([#8])[#6]-1-[#6]-c2c(-[#8]-1)c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1c2oc2ccc(-[#8])cc2c1=O
Show InChI InChI=1S/C28H32O6/c1-15(2)7-6-12-28(5,32)22-14-20-26(34-22)18(10-8-16(3)4)24(30)23-25(31)19-13-17(29)9-11-21(19)33-27(20)23/h7-9,11,13,22,29-30,32H,6,10,12,14H2,1-5H3
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 3.40E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)		BDBM50454316
PNG
(CHEMBL4211682)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]-[#6](-[#8])-[#6](-[#6])=[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O
Show InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)9-11-19-25(31)21(14-22(30)16(3)4)27(33)24-26(32)20-13-18(29)10-12-23(20)34-28(19)24/h7,9-10,12-13,22,29-31,33H,3,6,8,11,14H2,1-2,4-5H3/b17-9+
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 4.20E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256794
PNG
(CHEMBL4059800)
Show SMILES [H][C@@]12[#6][C@@]3([H])[#6](-[#8]-[#6])=[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]=[#6][C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](/[#6])-[#6])([#8]C2([#6])[#6])[#6]3=O |r,c:15,t:7,TLB:5:3:43.42:35,34:35:2.3.46:43.42,37:36:1.2:8.5,9:8:1.2:46.36,THB:47:46:43.42:35,47:46:1.2:8.5,43:1:46.36:8.5,6:5:1.2:46.36,8:35:2.3.46:43.42|
Show InChI InChI=1S/C39H48O7/c1-21(2)12-11-17-37(9)18-16-24-30(40)28-31(41)29-34(43-10)26-20-27-36(7,8)46-38(35(26)42,19-15-23(5)6)39(27,29)45-33(28)25(32(24)44-37)14-13-22(3)4/h12-13,15-16,18,26-27,40H,11,14,17,19-20H2,1-10H3/t26-,27-,37+,38-,39-/m0/s1
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 4.38E+3n/an/an/an/an/an/an/an/a



Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate by Dixon plot analysis

Bioorg Med Chem 25: 2498-2506 (2017)


Article DOI: 10.1016/j.bmc.2017.03.010
BindingDB Entry DOI: 10.7270/Q2Q81GHS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50442400
PNG
(AURICULASIN)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8]C([#6])([#6])[#6]=[#6]-c2c(-[#8])c2c1occ(-c1ccc(-[#8])c(-[#8])c1)c2=O |c:11|
Show InChI InChI=1S/C25H24O6/c1-13(2)5-7-16-23-15(9-10-25(3,4)31-23)21(28)20-22(29)17(12-30-24(16)20)14-6-8-18(26)19(27)11-14/h5-6,8-12,26-28H,7H2,1-4H3
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 4.40E+3n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot

Bioorg Med Chem Lett 26: 318-21 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.021
BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50454319
PNG
(CHEMBL4214309)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cc2oc3ccc(-[#8])cc3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C28H32O5/c1-17(2)7-6-8-19(5)13-14-32-24-16-25-26(27(30)21(24)11-9-18(3)4)28(31)22-15-20(29)10-12-23(22)33-25/h7,9-10,12-13,15-16,29-30H,6,8,11,14H2,1-5H3/b19-13+
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 5.10E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)		BDBM50454316
PNG
(CHEMBL4211682)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]-[#6](-[#8])-[#6](-[#6])=[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O
Show InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)9-11-19-25(31)21(14-22(30)16(3)4)27(33)24-26(32)20-13-18(29)10-12-23(20)34-28(19)24/h7,9-10,12-13,22,29-31,33H,3,6,8,11,14H2,1-2,4-5H3/b17-9+
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 6.60E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of alpha-glucosidase (unknown origin) assessed as enzyme-substrate-inhibitor complex formation using PNP-G as substrate by Line...

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)		BDBM50214969
PNG
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
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 7.30E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50134712
PNG
(CHEMBL3746218)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(c1-[#8])C1([#8])[#6]-[#8]-c2cc(-[#8])cc(-[#8])c2-[#6]1=O
Show InChI InChI=1S/C25H28O7/c1-14(2)5-4-6-15(3)7-8-17-19(27)10-9-18(23(17)29)25(31)13-32-21-12-16(26)11-20(28)22(21)24(25)30/h5,7,9-12,26-29,31H,4,6,8,13H2,1-3H3/b15-7+
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 7.50E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...

Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)		BDBM50454317
PNG
(CHEMBL4203265)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](=[#6])-[#6](-[#8])-[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O
Show InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)22(30)14-21-25(31)19(11-9-16(3)4)26(32)24-27(33)20-13-18(29)10-12-23(20)34-28(21)24/h7,9-10,12-13,22,29-32H,5-6,8,11,14H2,1-4H3
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 8.20E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50454317
PNG
(CHEMBL4203265)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](=[#6])-[#6](-[#8])-[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O
Show InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)22(30)14-21-25(31)19(11-9-16(3)4)26(32)24-27(33)20-13-18(29)10-12-23(20)34-28(21)24/h7,9-10,12-13,22,29-32H,5-6,8,11,14H2,1-4H3
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 8.90E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50442403
PNG
(CHEMBL494252)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2occ(-c3ccc(-[#8])cc3)c(=O)c2c1-[#8]
Show InChI InChI=1S/C25H26O5/c1-14(2)5-11-18-22(27)19(12-6-15(3)4)25-21(23(18)28)24(29)20(13-30-25)16-7-9-17(26)10-8-16/h5-10,13,26-28H,11-12H2,1-4H3
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PubMed
 9.60E+3n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot

Bioorg Med Chem Lett 26: 318-21 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.021
BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)		BDBM50454321
PNG
(CHEMBL4208135)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]C([#6])([#8])[#6]-1-[#6]-c2c(-[#8]-1)c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1c2oc2ccc(-[#8])cc2c1=O
Show InChI InChI=1S/C28H32O6/c1-15(2)7-6-12-28(5,32)22-14-20-26(34-22)18(10-8-16(3)4)24(30)23-25(31)19-13-17(29)9-11-21(19)33-27(20)23/h7-9,11,13,22,29-30,32H,6,10,12,14H2,1-5H3
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 9.90E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50346334
PNG
(1,3,7-trihydroxy-2,4-diisoprenylxanthone | CHEMBL1...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3ccc(-[#8])cc3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O5/c1-12(2)5-8-15-20(25)16(9-6-13(3)4)23-19(21(15)26)22(27)17-11-14(24)7-10-18(17)28-23/h5-7,10-11,24-26H,8-9H2,1-4H3
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 1.11E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50136568
PNG
(CHEMBL3754570)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6]\[#6](-[#8])=[#6]-2/[#6](=O)-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]3-[#8]C([#6])([#6])[#6]=[#6]C3([#6]\[#6]=[#6](\[#6])-[#6])[#6]-2=O)cc1-[#8] |c:24,t:18|
Show InChI InChI=1S/C31H38O6/c1-19(2)8-11-22-27(34)26(23(32)12-9-21-10-13-25(36-7)24(33)18-21)28(35)31(15-14-20(3)4)17-16-30(5,6)37-29(22)31/h8,10,13-14,16-18,32-33H,9,11-12,15H2,1-7H3/b26-23-
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 1.23E+4n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot

Bioorg Med Chem Lett 26: 318-21 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.021
BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)		BDBM50454318
PNG
(CHEMBL4202640)
Show SMILES C\C(CCC(O)C(C)=C)=C/COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1
Show InChI InChI=1S/C23H24O6/c1-13(2)18(25)6-4-14(3)8-9-28-16-5-7-20-17(12-16)23(27)22-19(26)10-15(24)11-21(22)29-20/h5,7-8,10-12,18,24-26H,1,4,6,9H2,2-3H3/b14-8+
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 1.30E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)		BDBM50346335
PNG
(CHEMBL1782241 | Cochinchinone A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O
Show InChI InChI=1S/C28H32O5/c1-16(2)7-6-8-18(5)10-13-21-25(30)20(12-9-17(3)4)26(31)24-27(32)22-15-19(29)11-14-23(22)33-28(21)24/h7,9-11,14-15,29-31H,6,8,12-13H2,1-5H3/b18-10+
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 1.34E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50136567
PNG
(CHEMBL3753821)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6]-[#6](=O)-[#6]-2=[#6](-[#8])-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]3-[#8]C([#6])([#6])[#6]=[#6]C3([#6]\[#6]=[#6](\[#6])-[#6])[#6]-2=O)cc1-[#8] |c:10,24,t:18|
Show InChI InChI=1S/C31H38O6/c1-19(2)8-11-22-27(34)26(23(32)12-9-21-10-13-25(36-7)24(33)18-21)28(35)31(15-14-20(3)4)17-16-30(5,6)37-29(22)31/h8,10,13-14,16-18,33-34H,9,11-12,15H2,1-7H3
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PubMed
 1.76E+4n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot

Bioorg Med Chem Lett 26: 318-21 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.021
BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)		BDBM50454323
PNG
(CHEMBL4209191)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2oc3cc(-[#8])cc(-[#8])c3c(=O)c2c1
Show InChI InChI=1S/C23H24O5/c1-14(2)5-4-6-15(3)9-10-27-17-7-8-20-18(13-17)23(26)22-19(25)11-16(24)12-21(22)28-20/h5,7-9,11-13,24-25H,4,6,10H2,1-3H3/b15-9+
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PubMed
 1.77E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50442402
PNG
(FLEMINGSIN)
Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-c1coc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1=O
Show InChI InChI=1S/C26H28O6/c1-14(2)6-9-17-23(28)18(10-7-15(3)4)26-22(24(17)29)25(30)19(13-32-26)16-8-11-20(27)21(12-16)31-5/h6-8,11-13,27-29H,9-10H2,1-5H3
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 1.92E+4n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot

Bioorg Med Chem Lett 26: 318-21 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.021
BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)		BDBM50346334
PNG
(1,3,7-trihydroxy-2,4-diisoprenylxanthone | CHEMBL1...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3ccc(-[#8])cc3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O5/c1-12(2)5-8-15-20(25)16(9-6-13(3)4)23-19(21(15)26)22(27)17-11-14(24)7-10-18(17)28-23/h5-7,10-11,24-26H,8-9H2,1-4H3
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 1.92E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50454323
PNG
(CHEMBL4209191)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2oc3cc(-[#8])cc(-[#8])c3c(=O)c2c1
Show InChI InChI=1S/C23H24O5/c1-14(2)5-4-6-15(3)9-10-27-17-7-8-20-18(13-17)23(26)22-19(25)11-16(24)12-21(22)28-20/h5,7-9,11-13,24-25H,4,6,10H2,1-3H3/b15-9+
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 1.99E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50454320
PNG
(CHEMBL4217516)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]-[#6]C([#6])([#6])[#8])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C24H28O7/c1-12(2)6-7-14-19-17(11-16(26)23(14)30-5)31-18-10-15(25)13(8-9-24(3,4)29)21(27)20(18)22(19)28/h6,10-11,25-27,29H,7-9H2,1-5H3
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PubMed
 2.29E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)		BDBM50454320
PNG
(CHEMBL4217516)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]-[#6]C([#6])([#6])[#8])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C24H28O7/c1-12(2)6-7-14-19-17(11-16(26)23(14)30-5)31-18-10-15(25)13(8-9-24(3,4)29)21(27)20(18)22(19)28/h6,10-11,25-27,29H,7-9H2,1-5H3
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 2.51E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)		BDBM50454319
PNG
(CHEMBL4214309)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cc2oc3ccc(-[#8])cc3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C28H32O5/c1-17(2)7-6-8-19(5)13-14-32-24-16-25-26(27(30)21(24)11-9-18(3)4)28(31)22-15-20(29)10-12-23(22)33-25/h7,9-10,12-13,15-16,29-30H,6,8,11,14H2,1-5H3/b19-13+
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 2.72E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256806
PNG
(CHEMBL4068458)
Show SMILES [H][C@@]12[#6][C@@]3([H])[#6]=[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]=[#6]C([#6])([#6])[#8]-c6c(-[#6]\[#6]=[#6](/[#6])-[#6])c5-[#8][C@@]14[C@]([#8]C2([#6])[#6])(\[#6]=[#6](\[#6])-[#6]-[#8])[#6]3=O |r,c:13,t:5,TLB:27:28:30.31:39.3.2,30:29:6.5:1.2,40:39:6.5:1.2,5:3:28:30.31,THB:31:1:6.5:29.39,7:6:29.39:1.2,40:39:28:30.31,34:29:6.5:1.2|
Show InChI InChI=1S/C32H36O7/c1-16(2)8-9-20-26-19(10-11-29(4,5)37-26)24(34)23-25(35)21-12-18-13-22-30(6,7)39-31(28(18)36,14-17(3)15-33)32(21,22)38-27(20)23/h8,10-12,14,18,22,33-34H,9,13,15H2,1-7H3/b17-14-/t18-,22+,31+,32-/m1/s1
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 2.93E+4n/an/an/an/an/an/an/an/a



Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 60 mins followed by ...

Bioorg Med Chem 25: 2498-2506 (2017)


Article DOI: 10.1016/j.bmc.2017.03.010
BindingDB Entry DOI: 10.7270/Q2Q81GHS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50454318
PNG
(CHEMBL4202640)
Show SMILES C\C(CCC(O)C(C)=C)=C/COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1
Show InChI InChI=1S/C23H24O6/c1-13(2)18(25)6-4-14(3)8-9-28-16-5-7-20-17(12-16)23(27)22-19(26)10-15(24)11-21(22)29-20/h5,7-8,10-12,18,24-26H,1,4,6,9H2,2-3H3/b14-8+
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 2.95E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50442397
PNG
(OSAJIN)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2c(occ(-c3ccc(-[#8])cc3)c2=O)c2-[#6]=[#6]C([#6])([#6])[#8]-c12 |c:25|
Show InChI InChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3
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 2.99E+4n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot

Bioorg Med Chem Lett 26: 318-21 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.021
BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50454322
PNG
(CHEMBL4218731)
Show SMILES COc1c(O)ccc2c1oc1c3c(OC(CO)C3(C)C)cc(O)c1c2=O
Show InChI InChI=1S/C19H18O7/c1-19(2)12(7-20)25-11-6-10(22)13-15(23)8-4-5-9(21)17(24-3)16(8)26-18(13)14(11)19/h4-6,12,20-22H,7H2,1-3H3
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 3.27E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)		BDBM50454322
PNG
(CHEMBL4218731)
Show SMILES COc1c(O)ccc2c1oc1c3c(OC(CO)C3(C)C)cc(O)c1c2=O
Show InChI InChI=1S/C19H18O7/c1-19(2)12(7-20)25-11-6-10(22)13-15(23)8-4-5-9(21)17(24-3)16(8)26-18(13)14(11)19/h4-6,12,20-22H,7H2,1-3H3
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 3.39E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis

Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50134713
PNG
(CHEMBL3746757)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(c1-[#8])-c1coc2cc(-[#8])cc(-[#8])c2c1=O
Show InChI InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-13,26-29H,4,6,8H2,1-3H3/b15-7+
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 4.97E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...

Bioorg Med Chem 24: 153-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.040
BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
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