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Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'liang' and Initial = 'tj'   
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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50257088
PNG
(CHEMBL4066784)
Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r|
Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+
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415n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cell membranes after 90 mins by scintillation counting method


J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
BindingDB Entry DOI: 10.7270/Q2DR2XXZ
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50257088
PNG
(CHEMBL4066784)
Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r|
Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+
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443n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from human H2 receptor expressed in HEK cell membranes after 90 mins by scintillation counting method


J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
BindingDB Entry DOI: 10.7270/Q2DR2XXZ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50257088
PNG
(CHEMBL4066784)
Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r|
Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+
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575n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]Rauwolscine from human alpha2C receptor expressed in MDCK cell membranes after 90 mins by scintillation counting method


J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
BindingDB Entry DOI: 10.7270/Q2DR2XXZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50257088
PNG
(CHEMBL4066784)
Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r|
Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+
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1.21E+3n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from KOR receptor (unknown origin) expressed in HEK cell membranes after 90 mins by scintillation counting method


J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
BindingDB Entry DOI: 10.7270/Q2DR2XXZ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50257088
PNG
(CHEMBL4066784)
Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r|
Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+
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1.29E+3n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET receptor expressed in HEK cell membranes after 90 mins by scintillation counting method


J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
BindingDB Entry DOI: 10.7270/Q2DR2XXZ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50257088
PNG
(CHEMBL4066784)
Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r|
Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+
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1.42E+3n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]Rauwolscine from human alpha2A receptor expressed in MDCK cell membranes after 90 mins by scintillation counting method


J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
BindingDB Entry DOI: 10.7270/Q2DR2XXZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50257088
PNG
(CHEMBL4066784)
Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r|
Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+
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1.75E+3n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human M5 receptor expressed in CHO cell membranes after 90 mins by scintillation counting method


J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
BindingDB Entry DOI: 10.7270/Q2DR2XXZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50257088
PNG
(CHEMBL4066784)
Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r|
Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+
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1.81E+3n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]Pentazocine from guinea pig Sigma1 receptor after 90 mins by scintillation counting method


J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
BindingDB Entry DOI: 10.7270/Q2DR2XXZ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50257088
PNG
(CHEMBL4066784)
Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r|
Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+
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2.50E+3n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]Citalopram from human SERT receptor expressed in HEK cell membranes after 90 mins by scintillation counting method


J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
BindingDB Entry DOI: 10.7270/Q2DR2XXZ
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50041407
PNG
(CHEMBL3138697)
Show SMILES [H][C@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
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+/m1/s1
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n/an/a 980n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of CDC25B (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50041384
PNG
(CHEMBL3356396)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COC(=O)CCC1=C(C)C(=O)NC1=O |r,c:25|
Show InChI InChI=1S/C28H47NO4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)18-19-33-26(30)17-16-25-24(6)27(31)29-28(25)32/h18,20-22H,7-17,19H2,1-6H3,(H,29,31,32)/b23-18+/t21-,22-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant PTP1B catalytic domain (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50041407
PNG
(CHEMBL3138697)
Show SMILES [H][C@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
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+/m1/s1
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n/an/a 3.02E+3n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant PTP1B catalytic domain (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50041411
PNG
(CHEMBL3356399)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C\C=C(/C(C)C)C(C)=O |r,t:9|
Show InChI InChI=1S/C29H46O2/c1-18(2)23(20(4)30)9-7-19(3)25-11-12-26-24-10-8-21-17-22(31)13-15-28(21,5)27(24)14-16-29(25,26)6/h8-9,18-19,22,24-27,31H,7,10-17H2,1-6H3/b23-9+/t19-,22+,24+,25-,26+,27+,28+,29-/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant PTP1B catalytic domain (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50041386
PNG
(Alpha-Tocopherylquinone | CHEMBL1223852)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O |r,c:21,t:27|
Show InChI InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
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n/an/a 3.85E+3n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant PTP1B catalytic domain (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50041407
PNG
(CHEMBL3138697)
Show SMILES [H][C@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
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+/m1/s1
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n/an/a 4.44E+3n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50041410
PNG
(CHEMBL524098)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](O)(C=C)C(C)C |r,t:9|
Show InChI InChI=1S/C29H48O2/c1-7-29(31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,19-20,22-26,30-31H,1,9-18H2,2-6H3/t20-,22+,23+,24-,25+,26+,27+,28-,29-/m1/s1
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n/an/a 1.03E+4n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant PTP1B catalytic domain (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50041412
PNG
(CHEMBL3356398)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CC[C@]2(O1)C(=O)C(C)=C(C)C(=O)[C@]2(C)O |r,t:26|
Show InChI InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-27(7)18-19-29(33-27)26(31)24(6)23(5)25(30)28(29,8)32/h20-22,32H,9-19H2,1-8H3/t21-,22-,27-,28+,29+/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant PTP1B catalytic domain (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50041384
PNG
(CHEMBL3356396)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COC(=O)CCC1=C(C)C(=O)NC1=O |r,c:25|
Show InChI InChI=1S/C28H47NO4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)18-19-33-26(30)17-16-25-24(6)27(31)29-28(25)32/h18,20-22H,7-17,19H2,1-6H3,(H,29,31,32)/b23-18+/t21-,22-/m1/s1
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n/an/a 1.26E+4n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F


(Homo sapiens (Human))
BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
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n/an/a 1.38E+4n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of LAR (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
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n/an/a 1.47E+4n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6


(Homo sapiens (Human))
BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
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n/an/a 1.65E+4n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50041386
PNG
(Alpha-Tocopherylquinone | CHEMBL1223852)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O |r,c:21,t:27|
Show InChI InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
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n/an/a 2.32E+4n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of CDC25B (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50041288
PNG
(CHEBI:17327 | Trans-Phytol)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CO |r|
Show InChI InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1
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n/an/a 3.26E+4n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant PTP1B catalytic domain (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50041386
PNG
(Alpha-Tocopherylquinone | CHEMBL1223852)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O |r,c:21,t:27|
Show InChI InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
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n/an/a 3.51E+4n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50041409
PNG
(CHEMBL489548)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@](O)(C=C)C(C)C |r,t:9|
Show InChI InChI=1S/C29H48O2/c1-7-29(31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,19-20,22-26,30-31H,1,9-18H2,2-6H3/t20-,22+,23+,24-,25+,26+,27+,28-,29+/m1/s1
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n/an/a 4.17E+4n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant PTP1B catalytic domain (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50041384
PNG
(CHEMBL3356396)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COC(=O)CCC1=C(C)C(=O)NC1=O |r,c:25|
Show InChI InChI=1S/C28H47NO4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)18-19-33-26(30)17-16-25-24(6)27(31)29-28(25)32/h18,20-22H,7-17,19H2,1-6H3,(H,29,31,32)/b23-18+/t21-,22-/m1/s1
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n/an/a 4.29E+4n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of CDC25B (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50041408
PNG
(CHEMBL3356400)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\C(=O)C(C)C |r,t:9|
Show InChI InChI=1S/C27H42O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h6-7,11,17-18,20-24,28H,8-10,12-16H2,1-5H3/b11-6+/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant PTP1B catalytic domain (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50041413
PNG
(CHEMBL3356397)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COC(C)=O |r|
Show InChI InChI=1S/C22H42O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h16,18-20H,7-15,17H2,1-6H3/b21-16+/t19-,20-/m1/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Nanchang University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant PTP1B catalytic domain (unknown origin) using pNPP as substrate by spectrophotometry


Bioorg Med Chem 23: 38-45 (2014)


Article DOI: 10.1016/j.bmc.2014.11.031
BindingDB Entry DOI: 10.7270/Q20K2B5M
More data for this
Ligand-Target Pair