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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine protein phosphatase 2A, catalytic subunit, alpha isoform' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Serine/threonine protein phosphatase 2A, catalytic subunit, alpha isoform


(Homo sapiens)
BDBM50097634
PNG
(CHEMBL158524 | okadaic acid analogue)
Show SMILES C[C@@H](C[C@H](O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\[C@@H](C)[C@@H]3CC(C)=C[C@@]4(O[C@H](C[C@@](C)(O)C(O)=O)CCC4O)O3)O[C@H]2[C@H](O)C1=C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C
Show InChI InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35?,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 7n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Protein phosphatase 2A (25 nM) isolated from bovine myocardial tissue


Bioorg Med Chem Lett 11: 647-9 (2001)

More data for this
Ligand-Target Pair
Serine/threonine protein phosphatase 2A, catalytic subunit, alpha isoform


(Homo sapiens)
BDBM50097633
PNG
(CHEMBL346552 | okadaic acid analogue)
Show SMILES C[C@H](\C=C\[C@H]1CC[C@@]2(CC[C@H]3O[C@H](CO)C(=C)[C@@H](O)[C@@H]3O2)O1)[C@@H]1CC(C)=C[C@@]2(O[C@H](C[C@@](C)(O)C(O)=O)CCC2O)O1
Show InChI InChI=1S/C31H46O11/c1-17-13-23(41-31(14-17)25(33)8-7-21(40-31)15-29(4,37)28(35)36)18(2)5-6-20-9-11-30(39-20)12-10-22-27(42-30)26(34)19(3)24(16-32)38-22/h5-6,14,18,20-27,32-34,37H,3,7-13,15-16H2,1-2,4H3,(H,35,36)/b6-5+/t18-,20+,21+,22-,23+,24-,25?,26-,27-,29-,30-,31-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 304n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Protein phosphatase 2A (25 nM) isolated from bovine myocardial tissue


Bioorg Med Chem Lett 11: 647-9 (2001)

More data for this
Ligand-Target Pair
Serine/threonine protein phosphatase 2A, catalytic subunit, alpha isoform


(Homo sapiens)
BDBM50097635
PNG
(CHEMBL158922 | okadaic acid analogue)
Show SMILES C[C@@H](C[C@H](O)[C@H]1O[C@@H]2CC[C@@]3(CCCO3)O[C@H]2[C@H](O)C1=C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C
Show InChI InChI=1S/C26H42O7/c1-16-7-11-25(9-4-5-13-29-25)32-22(16)17(2)15-19(27)23-18(3)21(28)24-20(31-23)8-12-26(33-24)10-6-14-30-26/h16-17,19-24,27-28H,3-15H2,1-2H3/t16-,17+,19+,20-,21-,22+,23+,24-,25+,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Protein phosphatase 2A (25 nM) isolated from bovine myocardial tissue


Bioorg Med Chem Lett 11: 647-9 (2001)

More data for this
Ligand-Target Pair