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PubMed code 28189419

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 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
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
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
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
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(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
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
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
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
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(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
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
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
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
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
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
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
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
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
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
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(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
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
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
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
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
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
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232635
PNG
(CHEMBL4089985)
Show SMILES C[C@@H](CCCc1ccoc1)C[C@H](C\C(C)=C\CCc1ccoc1)OC(C)=O
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
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
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
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50232634
PNG
(CHEBI:67726 | FUROSPONGIN 1 | Furospongin 1)
Show SMILES C[C@@H](CCCc1ccoc1)C[C@@H](O)C\C(C)=C\CCc1ccoc1
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
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232634
PNG
(CHEBI:67726 | FUROSPONGIN 1 | Furospongin 1)
Show SMILES C[C@@H](CCCc1ccoc1)C[C@@H](O)C\C(C)=C\CCc1ccoc1
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
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50232634
PNG
(CHEBI:67726 | FUROSPONGIN 1 | Furospongin 1)
Show SMILES C[C@@H](CCCc1ccoc1)C[C@@H](O)C\C(C)=C\CCc1ccoc1
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
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50232635
PNG
(CHEMBL4089985)
Show SMILES C[C@@H](CCCc1ccoc1)C[C@H](C\C(C)=C\CCc1ccoc1)OC(C)=O
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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PC sid
UniChem

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Article
PubMed
n/an/a 2.15E+4n/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
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))
BDBM50232635
PNG
(CHEMBL4089985)
Show SMILES C[C@@H](CCCc1ccoc1)C[C@H](C\C(C)=C\CCc1ccoc1)OC(C)=O
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
UniProtKB/TrEMBL

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UniChem

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PubMed
n/an/a>2.70E+4n/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
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))
BDBM50232634
PNG
(CHEBI:67726 | FUROSPONGIN 1 | Furospongin 1)
Show SMILES C[C@@H](CCCc1ccoc1)C[C@@H](O)C\C(C)=C\CCc1ccoc1
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
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>3.00E+4n/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
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%