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Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'abdjul' and Initial = 'db'   
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
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50461446
PNG
(CHEMBL4227742)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C |r|
Show InChI InChI=1S/C16H26Cl6N2O2/c1-6-13(25)11(7-9(2)15(17,18)19)23-14(26)12(24(4)5)8-10(3)16(20,21)22/h9-12H,6-8H2,1-5H3,(H,23,26)/t9-,10-,11-,12-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
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 700n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate and measured 30 mins post substra...

Bioorg Med Chem Lett 25: 3900-2 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.039
BindingDB Entry DOI: 10.7270/Q2KW5HV5
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 730n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B using pNPP as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by microplate ...

Bioorg Med Chem Lett 26: 315-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.022
BindingDB Entry DOI: 10.7270/Q2SF2Z0K
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50461446
PNG
(CHEMBL4227742)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C |r|
Show InChI InChI=1S/C16H26Cl6N2O2/c1-6-13(25)11(7-9(2)15(17,18)19)23-14(26)12(24(4)5)8-10(3)16(20,21)22/h9-12H,6-8H2,1-5H3,(H,23,26)/t9-,10-,11-,12-/m0/s1
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n/an/a 780n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM50232636
PNG
((7E,12E,20Z,18S)-Variabilin | 7E,12E,20Z-Variabili...)
Show SMILES C[C@@H](CCC\C(C)=C\CC\C(C)=C\CCc1ccoc1)\C=C1/OC(=O)C(C)=C1O |r,c:27|
Show InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h8,11,14-17,20,26H,5-7,9-10,12-13H2,1-4H3/b18-8+,19-11+,23-16-/t20-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged human TCPTP expressed in Escherichia coli using pNPP as substrate preincubated for 10 min...

Bioorg Med Chem Lett 27: 1159-1161 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.071
BindingDB Entry DOI: 10.7270/Q2ST7S23
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50461446
PNG
(CHEMBL4227742)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C |r|
Show InChI InChI=1S/C16H26Cl6N2O2/c1-6-13(25)11(7-9(2)15(17,18)19)23-14(26)12(24(4)5)8-10(3)16(20,21)22/h9-12H,6-8H2,1-5H3,(H,23,26)/t9-,10-,11-,12-/m0/s1
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n/an/a 860n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(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 1.00E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CD45 cytoplasmic domain (584 to 1281 residues) expressed in yeast using pNPP as substrate preincubated for 10 mins followed by su...

Bioorg Med Chem Lett 27: 1159-1161 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.071
BindingDB Entry DOI: 10.7270/Q2ST7S23
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50461447
PNG
(CHEMBL4228016)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)\C=C\[C@H](C)C(Cl)(Cl)Cl |r|
Show InChI InChI=1S/C14H19Cl6NO2/c1-4-11(22)10(7-9(3)14(18,19)20)21-12(23)6-5-8(2)13(15,16)17/h5-6,8-10H,4,7H2,1-3H3,(H,21,23)/b6-5+/t8-,9-,10-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
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 1.00E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B using pNPP as substrate assessed as rate of hydrolysis incubated for 10 mins prior to substrate addition measur...

J Nat Prod 78: 1428-33 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00375
BindingDB Entry DOI: 10.7270/Q2VH5QM6
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 1.03E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 25: 904-7 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.058
BindingDB Entry DOI: 10.7270/Q29W0H5T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50360305
PNG
(CHEMBL409855 | US9149492, Beauveriolide III)
Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|
Show InChI InChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18-,19-,21-,22-,24+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
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 1.10E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...

Bioorg Med Chem Lett 27: 1159-1161 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.071
BindingDB Entry DOI: 10.7270/Q2ST7S23
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50461447
PNG
(CHEMBL4228016)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)\C=C\[C@H](C)C(Cl)(Cl)Cl |r|
Show InChI InChI=1S/C14H19Cl6NO2/c1-4-11(22)10(7-9(3)14(18,19)20)21-12(23)6-5-8(2)13(15,16)17/h5-6,8-10H,4,7H2,1-3H3,(H,21,23)/b6-5+/t8-,9-,10-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))		BDBM50232636
PNG
((7E,12E,20Z,18S)-Variabilin | 7E,12E,20Z-Variabili...)
Show SMILES C[C@@H](CCC\C(C)=C\CC\C(C)=C\CCc1ccoc1)\C=C1/OC(=O)C(C)=C1O |r,c:27|
Show InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h8,11,14-17,20,26H,5-7,9-10,12-13H2,1-4H3/b18-8+,19-11+,23-16-/t20-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CD45 cytoplasmic domain (584 to 1281 residues) expressed in yeast using pNPP as substrate preincubated for 10 mins followed by su...

Bioorg Med Chem Lett 27: 1159-1161 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.071
BindingDB Entry DOI: 10.7270/Q2ST7S23
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50232636
PNG
((7E,12E,20Z,18S)-Variabilin | 7E,12E,20Z-Variabili...)
Show SMILES C[C@@H](CCC\C(C)=C\CC\C(C)=C\CCc1ccoc1)\C=C1/OC(=O)C(C)=C1O |r,c:27|
Show InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h8,11,14-17,20,26H,5-7,9-10,12-13H2,1-4H3/b18-8+,19-11+,23-16-/t20-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...

Bioorg Med Chem Lett 27: 1159-1161 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.071
BindingDB Entry DOI: 10.7270/Q2ST7S23
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(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 1.60E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged human TCPTP expressed in Escherichia coli using pNPP as substrate preincubated for 10 min...

Bioorg Med Chem Lett 27: 1159-1161 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.071
BindingDB Entry DOI: 10.7270/Q2ST7S23
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50135267
PNG
(CHEMBL3746974)
Show SMILES [H][C@]1([#6]-[#6]-[#6](-[#6])=[#6]-[#6]1)[C@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#7]-[#6](=O)-[#7][C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[C@]1([H])[#6]-[#6]-[#6](-[#6])=[#6]-[#6]1 |r,c:5,34|
Show InChI InChI=1S/C31H52N2O/c1-23(2)11-9-21-30(7,27-17-13-25(5)14-18-27)32-29(34)33-31(8,22-10-12-24(3)4)28-19-15-26(6)16-20-28/h11-13,15,27-28H,9-10,14,16-22H2,1-8H3,(H2,32,33,34)/t27-,28-,30-,31-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B using pNPP as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by microplate ...

Bioorg Med Chem Lett 26: 315-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.022
BindingDB Entry DOI: 10.7270/Q2SF2Z0K
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50461448
PNG
(CHEMBL4227559)
Show SMILES C[C@@H](C[C@@H]1N(C)C(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C1=O)C(Cl)(Cl)Cl |r|
Show InChI InChI=1S/C14H20Cl6N2O2/c1-7(13(15,16)17)5-9-11(23)22(4)10(12(24)21(9)3)6-8(2)14(18,19)20/h7-10H,5-6H2,1-4H3/t7-,8-,9-,10-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50461447
PNG
(CHEMBL4228016)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)\C=C\[C@H](C)C(Cl)(Cl)Cl |r|
Show InChI InChI=1S/C14H19Cl6NO2/c1-4-11(22)10(7-9(3)14(18,19)20)21-12(23)6-5-8(2)13(15,16)17/h5-6,8-10H,4,7H2,1-3H3,(H,21,23)/b6-5+/t8-,9-,10-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50461446
PNG
(CHEMBL4227742)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C |r|
Show InChI InChI=1S/C16H26Cl6N2O2/c1-6-13(25)11(7-9(2)15(17,18)19)23-14(26)12(24(4)5)8-10(3)16(20,21)22/h9-12H,6-8H2,1-5H3,(H,23,26)/t9-,10-,11-,12-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50360305
PNG
(CHEMBL409855 | US9149492, Beauveriolide III)
Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|
Show InChI InChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18-,19-,21-,22-,24+/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50360305
PNG
(CHEMBL409855 | US9149492, Beauveriolide III)
Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|
Show InChI InChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18-,19-,21-,22-,24+/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50461447
PNG
(CHEMBL4228016)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)\C=C\[C@H](C)C(Cl)(Cl)Cl |r|
Show InChI InChI=1S/C14H19Cl6NO2/c1-4-11(22)10(7-9(3)14(18,19)20)21-12(23)6-5-8(2)13(15,16)17/h5-6,8-10H,4,7H2,1-3H3,(H,21,23)/b6-5+/t8-,9-,10-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM50316020
PNG
((12E,20Z,18S)-8-hydroxyvariabilin | 5-((2S)-13-(fu...)
Show SMILES C[C@@H](CCC\C(C)=C\CCC(C)(O)CCCc1ccoc1)C=C1OC(=O)C(C)C1=O |r,w:22.23|
Show InChI InChI=1S/C25H36O5/c1-18(8-5-9-19(2)16-22-23(26)20(3)24(27)30-22)10-6-13-25(4,28)14-7-11-21-12-15-29-17-21/h10,12,15-17,19-20,28H,5-9,11,13-14H2,1-4H3/b18-10+,22-16?/t19-,20?,25?/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged human TCPTP expressed in Escherichia coli using pNPP as substrate preincubated for 10 min...

Bioorg Med Chem Lett 27: 1159-1161 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.071
BindingDB Entry DOI: 10.7270/Q2ST7S23
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50461448
PNG
(CHEMBL4227559)
Show SMILES C[C@@H](C[C@@H]1N(C)C(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C1=O)C(Cl)(Cl)Cl |r|
Show InChI InChI=1S/C14H20Cl6N2O2/c1-7(13(15,16)17)5-9-11(23)22(4)10(12(24)21(9)3)6-8(2)14(18,19)20/h7-10H,5-6H2,1-4H3/t7-,8-,9-,10-/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50461448
PNG
(CHEMBL4227559)
Show SMILES C[C@@H](C[C@@H]1N(C)C(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C1=O)C(Cl)(Cl)Cl |r|
Show InChI InChI=1S/C14H20Cl6N2O2/c1-7(13(15,16)17)5-9-11(23)22(4)10(12(24)21(9)3)6-8(2)14(18,19)20/h7-10H,5-6H2,1-4H3/t7-,8-,9-,10-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50461448
PNG
(CHEMBL4227559)
Show SMILES C[C@@H](C[C@@H]1N(C)C(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C1=O)C(Cl)(Cl)Cl |r|
Show InChI InChI=1S/C14H20Cl6N2O2/c1-7(13(15,16)17)5-9-11(23)22(4)10(12(24)21(9)3)6-8(2)14(18,19)20/h7-10H,5-6H2,1-4H3/t7-,8-,9-,10-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(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 5.40E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human VHR expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after ...

Bioorg Med Chem Lett 27: 1159-1161 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.071
BindingDB Entry DOI: 10.7270/Q2ST7S23
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))		BDBM50232636
PNG
((7E,12E,20Z,18S)-Variabilin | 7E,12E,20Z-Variabili...)
Show SMILES C[C@@H](CCC\C(C)=C\CC\C(C)=C\CCc1ccoc1)\C=C1/OC(=O)C(C)=C1O |r,c:27|
Show InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h8,11,14-17,20,26H,5-7,9-10,12-13H2,1-4H3/b18-8+,19-11+,23-16-/t20-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human VHR expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after ...

Bioorg Med Chem Lett 27: 1159-1161 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.071
BindingDB Entry DOI: 10.7270/Q2ST7S23
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50196073
PNG
(CHEMBL3919081)
Show SMILES [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)ccc1OC(C)=O |r|
Show InChI InChI=1S/C23H32O3/c1-15-7-6-8-21-22(15,4)12-11-16(2)23(21,5)14-18-13-19(25)9-10-20(18)26-17(3)24/h9-10,13,16,21,25H,1,6-8,11-12,14H2,2-5H3/t16-,21+,22+,23+/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...

J Nat Prod 79: 1842-7 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00367
BindingDB Entry DOI: 10.7270/Q20V8FRH
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50316020
PNG
((12E,20Z,18S)-8-hydroxyvariabilin | 5-((2S)-13-(fu...)
Show SMILES C[C@@H](CCC\C(C)=C\CCC(C)(O)CCCc1ccoc1)C=C1OC(=O)C(C)C1=O |r,w:22.23|
Show InChI InChI=1S/C25H36O5/c1-18(8-5-9-19(2)16-22-23(26)20(3)24(27)30-22)10-6-13-25(4,28)14-7-11-21-12-15-29-17-21/h10,12,15-17,19-20,28H,5-9,11,13-14H2,1-4H3/b18-10+,22-16?/t19-,20?,25?/m0/s1
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n/an/a 7.10E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...

Bioorg Med Chem Lett 27: 1159-1161 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.071
BindingDB Entry DOI: 10.7270/Q2ST7S23
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50061005
PNG
(CHEMBL3393517)
Show SMILES [H][C@@]12CCC3=C(C(=O)O[C@@H]3C)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2(C)CC[C@@]2([H])C(C)(C)CCC[C@]12CC |r,t:4|
Show InChI InChI=1S/C27H42O3/c1-7-27-13-8-12-24(3,4)18(27)11-14-25(5)19-10-9-17-16(2)30-23(29)22(17)26(19,6)21(28)15-20(25)27/h16,18-21,28H,7-15H2,1-6H3/t16-,18+,19+,20+,21-,25+,26-,27+/m1/s1
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n/an/a 7.45E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 25: 904-7 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.058
BindingDB Entry DOI: 10.7270/Q29W0H5T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50061004
PNG
(CHEMBL3393519)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@]4([H])CCC5=C(C(=O)O[C@@H]5C)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]1(C)CCC[C@]2(C)CC |r,t:10|
Show InChI InChI=1S/C27H42O3/c1-7-24(3)12-8-13-25(4)18(24)11-14-26(5)19-10-9-17-16(2)30-23(29)22(17)27(19,6)21(28)15-20(25)26/h16,18-21,28H,7-15H2,1-6H3/t16-,18+,19+,20-,21-,24+,25+,26+,27-/m1/s1
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n/an/a 7.47E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 25: 904-7 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.058
BindingDB Entry DOI: 10.7270/Q29W0H5T
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))		BDBM50232635
PNG
(CHEMBL4089985)
Show SMILES C[C@@H](CCCc1ccoc1)C[C@H](C\C(C)=C\CCc1ccoc1)OC(C)=O |r|
Show InChI InChI=1S/C23H32O4/c1-18(6-4-8-21-10-12-25-16-21)14-23(27-20(3)24)15-19(2)7-5-9-22-11-13-26-17-22/h6,10-13,16-17,19,23H,4-5,7-9,14-15H2,1-3H3/b18-6+/t19-,23-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human VHR expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after ...

Bioorg Med Chem Lett 27: 1159-1161 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.071
BindingDB Entry DOI: 10.7270/Q2ST7S23
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50115386
PNG
(CHEMBL3608572)
Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4(C)Oc5ccccc5C[C@@]34[H])[C@@]11CCC[C@@]2(C)[C@@H](OC)OC1 |r,THB:29:28:24.25.23:1|
Show InChI InChI=1S/C27H38O3/c1-24-14-10-21-25(2)12-7-13-27(21,17-29-23(25)28-4)20(24)11-15-26(3)22(24)16-18-8-5-6-9-19(18)30-26/h5-6,8-9,20-23H,7,10-17H2,1-4H3/t20-,21-,22-,23-,24+,25+,26-,27-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate and measured 30 mins post substra...

Bioorg Med Chem Lett 25: 3900-2 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.039
BindingDB Entry DOI: 10.7270/Q2KW5HV5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50196066
PNG
(20-O-Acetylneoavarol | CHEMBL516014)
Show SMILES [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(OC(C)=O)ccc1O |r|
Show InChI InChI=1S/C23H32O3/c1-15-7-6-8-21-22(15,4)12-11-16(2)23(21,5)14-18-13-19(26-17(3)24)9-10-20(18)25/h9-10,13,16,21,25H,1,6-8,11-12,14H2,2-5H3/t16-,21+,22+,23+/m0/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...

J Nat Prod 79: 1842-7 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00367
BindingDB Entry DOI: 10.7270/Q20V8FRH
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50115392
PNG
(CHEMBL3608571)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@H](Cc4cc(O)ccc4O)[C@@](C)(O)CC[C@]3([H])[C@@]11CCC[C@@]2(C)[C@@H](OCC)OC1 |r,THB:30:29:25.26.24:1|
Show InChI InChI=1S/C28H42O5/c1-5-32-24-26(3)11-6-12-28(17-33-24)21-10-14-27(4,31)23(25(21,2)13-9-22(26)28)16-18-15-19(29)7-8-20(18)30/h7-8,15,21-24,29-31H,5-6,9-14,16-17H2,1-4H3/t21-,22-,23-,24-,25+,26+,27-,28-/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate and measured 30 mins post substra...

Bioorg Med Chem Lett 25: 3900-2 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.039
BindingDB Entry DOI: 10.7270/Q2KW5HV5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50196071
PNG
(CHEMBL3971802)
Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(OC(=O)CC)ccc1OC(=O)CC |r,t:4|
Show InChI InChI=1S/C27H38O4/c1-7-24(28)30-21-12-13-22(31-25(29)8-2)20(16-21)17-27(6)19(4)14-15-26(5)18(3)10-9-11-23(26)27/h10,12-13,16,19,23H,7-9,11,14-15,17H2,1-6H3/t19-,23+,26+,27+/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...

J Nat Prod 79: 1842-7 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00367
BindingDB Entry DOI: 10.7270/Q20V8FRH
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50115388
PNG
(Strongylophorin-3 | strongylophorine-3)
Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4(C)Oc5ccc(O)cc5C[C@@]34[H])[C@@]1(C)CCC[C@]2(C)C(O)=O |r|
Show InChI InChI=1S/C26H36O4/c1-23-10-5-11-25(3,22(28)29)20(23)8-12-24(2)19(23)9-13-26(4)21(24)15-16-14-17(27)6-7-18(16)30-26/h6-7,14,19-21,27H,5,8-13,15H2,1-4H3,(H,28,29)/t19-,20-,21+,23-,24-,25+,26+/m1/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate and measured 30 mins post substra...

Bioorg Med Chem Lett 25: 3900-2 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.039
BindingDB Entry DOI: 10.7270/Q2KW5HV5
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))		BDBM50316020
PNG
((12E,20Z,18S)-8-hydroxyvariabilin | 5-((2S)-13-(fu...)
Show SMILES C[C@@H](CCC\C(C)=C\CCC(C)(O)CCCc1ccoc1)C=C1OC(=O)C(C)C1=O |r,w:22.23|
Show InChI InChI=1S/C25H36O5/c1-18(8-5-9-19(2)16-22-23(26)20(3)24(27)30-22)10-6-13-25(4,28)14-7-11-21-12-15-29-17-21/h10,12,15-17,19-20,28H,5-9,11,13-14H2,1-4H3/b18-10+,22-16?/t19-,20?,25?/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CD45 cytoplasmic domain (584 to 1281 residues) expressed in yeast using pNPP as substrate preincubated for 10 mins followed by su...

Bioorg Med Chem Lett 27: 1159-1161 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.071
BindingDB Entry DOI: 10.7270/Q2ST7S23
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50232635
PNG
(CHEMBL4089985)
Show SMILES C[C@@H](CCCc1ccoc1)C[C@H](C\C(C)=C\CCc1ccoc1)OC(C)=O |r|
Show InChI InChI=1S/C23H32O4/c1-18(6-4-8-21-10-12-25-16-21)14-23(27-20(3)24)15-19(2)7-5-9-22-11-13-26-17-22/h6,10-13,16-17,19,23H,4-5,7-9,14-15H2,1-3H3/b18-6+/t19-,23-/m0/s1
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n/an/a 9.20E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...

Bioorg Med Chem Lett 27: 1159-1161 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.071
BindingDB Entry DOI: 10.7270/Q2ST7S23
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))		BDBM50316020
PNG
((12E,20Z,18S)-8-hydroxyvariabilin | 5-((2S)-13-(fu...)
Show SMILES C[C@@H](CCC\C(C)=C\CCC(C)(O)CCCc1ccoc1)C=C1OC(=O)C(C)C1=O |r,w:22.23|
Show InChI InChI=1S/C25H36O5/c1-18(8-5-9-19(2)16-22-23(26)20(3)24(27)30-22)10-6-13-25(4,28)14-7-11-21-12-15-29-17-21/h10,12,15-17,19-20,28H,5-9,11,13-14H2,1-4H3/b18-10+,22-16?/t19-,20?,25?/m0/s1
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n/an/a 9.40E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human VHR expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after ...

Bioorg Med Chem Lett 27: 1159-1161 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.071
BindingDB Entry DOI: 10.7270/Q2ST7S23
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50196070
PNG
(CHEMBL3962935)
Show SMILES [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(OC(=O)CC)ccc1OC(=O)CC |r|
Show InChI InChI=1S/C27H38O4/c1-7-24(28)30-21-12-13-22(31-25(29)8-2)20(16-21)17-27(6)19(4)14-15-26(5)18(3)10-9-11-23(26)27/h12-13,16,19,23H,3,7-11,14-15,17H2,1-2,4-6H3/t19-,23+,26+,27+/m0/s1
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n/an/a 9.40E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...

J Nat Prod 79: 1842-7 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00367
BindingDB Entry DOI: 10.7270/Q20V8FRH
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50196064
PNG
(CHEMBL521017)
Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)ccc1OC(C)=O |r,t:4|
Show InChI InChI=1S/C23H32O3/c1-15-7-6-8-21-22(15,4)12-11-16(2)23(21,5)14-18-13-19(25)9-10-20(18)26-17(3)24/h7,9-10,13,16,21,25H,6,8,11-12,14H2,1-5H3/t16-,21+,22+,23+/m0/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...

J Nat Prod 79: 1842-7 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00367
BindingDB Entry DOI: 10.7270/Q20V8FRH
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM50232634
PNG
(CHEBI:67726 | Furospongin 1)
Show SMILES C[C@@H](CCCc1ccoc1)C[C@@H](O)C\C(C)=C\CCc1ccoc1 |r|
Show InChI InChI=1S/C21H30O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h5,9-12,15-16,18,21-22H,3-4,6-8,13-14H2,1-2H3/b17-5+/t18-,21-/m0/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged human TCPTP expressed in Escherichia coli using pNPP as substrate preincubated for 10 min...

Bioorg Med Chem Lett 27: 1159-1161 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.071
BindingDB Entry DOI: 10.7270/Q2ST7S23
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50232634
PNG
(CHEBI:67726 | Furospongin 1)
Show SMILES C[C@@H](CCCc1ccoc1)C[C@@H](O)C\C(C)=C\CCc1ccoc1 |r|
Show InChI InChI=1S/C21H30O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h5,9-12,15-16,18,21-22H,3-4,6-8,13-14H2,1-2H3/b17-5+/t18-,21-/m0/s1
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n/an/a 9.90E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...

Bioorg Med Chem Lett 27: 1159-1161 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.071
BindingDB Entry DOI: 10.7270/Q2ST7S23
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50196067
PNG
(CHEMBL3893783)
Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(OC(C)=O)ccc1O |r,t:4|
Show InChI InChI=1S/C23H32O3/c1-15-7-6-8-21-22(15,4)12-11-16(2)23(21,5)14-18-13-19(26-17(3)24)9-10-20(18)25/h7,9-10,13,16,21,25H,6,8,11-12,14H2,1-5H3/t16-,21+,22+,23+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...

J Nat Prod 79: 1842-7 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00367
BindingDB Entry DOI: 10.7270/Q20V8FRH
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50196068
PNG
(CHEMBL3892140)
Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@@]1(C)Oc3ccc(O)cc3C[C@@]21C |r,t:4|
Show InChI InChI=1S/C21H28O2/c1-14-6-5-7-18-19(14,2)10-11-21(4)20(18,3)13-15-12-16(22)8-9-17(15)23-21/h6,8-9,12,18,22H,5,7,10-11,13H2,1-4H3/t18-,19-,20+,21-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...

J Nat Prod 79: 1842-7 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00367
BindingDB Entry DOI: 10.7270/Q20V8FRH
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))		BDBM50232634
PNG
(CHEBI:67726 | Furospongin 1)
Show SMILES C[C@@H](CCCc1ccoc1)C[C@@H](O)C\C(C)=C\CCc1ccoc1 |r|
Show InChI InChI=1S/C21H30O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h5,9-12,15-16,18,21-22H,3-4,6-8,13-14H2,1-2H3/b17-5+/t18-,21-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human VHR expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after ...

Bioorg Med Chem Lett 27: 1159-1161 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.071
BindingDB Entry DOI: 10.7270/Q2ST7S23
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50115390
PNG
(CHEMBL3608573)
Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4(C)Oc5ccc(O)cc5C[C@@]34[H])[C@@]11CCC[C@@]2(C)[C@@H](O)OC1 |r,THB:30:29:25.26.24:1|
Show InChI InChI=1S/C26H36O4/c1-23-11-7-20-24(2)9-4-10-26(20,15-29-22(24)28)19(23)8-12-25(3)21(23)14-16-13-17(27)5-6-18(16)30-25/h5-6,13,19-22,27-28H,4,7-12,14-15H2,1-3H3/t19-,20-,21-,22-,23+,24+,25-,26-/m0/s1
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n/an/a 1.19E+4n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate and measured 30 mins post substra...

Bioorg Med Chem Lett 25: 3900-2 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.039
BindingDB Entry DOI: 10.7270/Q2KW5HV5
More data for this
Ligand-Target Pair
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