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Compile Data Set for Download or QSAR

Found 1 hit with Last Name = 'fernández' and Initial = 'jj'   
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
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50110676
PNG
(CHEMBL280487 | okadaic acid)
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)CC[C@H]4O)O3)O[C@H]2[C@H](O)C1=C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C |r,c:23|
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
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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Instituto Universitario de Bio-Organica Antonio Gonzalez

Curated by ChEMBL


Assay Description
Inhibitory activity against serine/threonine protein phosphatase 1(PP1)


J Med Chem 47: 10-3 (2003)


Article DOI: 10.1021/jm034189b
BindingDB Entry DOI: 10.7270/Q20C4W88
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)