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BDBM50135691 (R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-methoxy-2,6,8-trimethyl-10-phenyl-deca-4,6-dienoylamino)-propionic acid::CHEMBL318253

SMILES: CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](C)C(O)=O

InChI Key: InChIKey=JTOZWTDCDPQQIV-INTSVSHNSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50135691   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein phosphatase 2C beta


(Homo sapiens (Human))
BDBM50135691
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](C)C(O)=O
Show InChI InChI=1S/C25H36N2O5/c1-16(14-17(2)23(32-6)15-21-10-8-7-9-11-21)12-13-22(27-20(5)28)18(3)24(29)26-19(4)25(30)31/h7-14,17-19,22-23H,15H2,1-6H3,(H,26,29)(H,27,28)(H,30,31)/b13-12+,16-14+/t17-,18-,19+,22-,23-/m0/s1
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Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of California Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Bioorg Med Chem Lett 13: 2907-11 (2003)


Article DOI: 10.1016/s0960-894x(03)00588-2
BindingDB Entry DOI: 10.7270/Q2SF2VKZ
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens (Human))
BDBM50135691
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](C)C(O)=O
Show InChI InChI=1S/C25H36N2O5/c1-16(14-17(2)23(32-6)15-21-10-8-7-9-11-21)12-13-22(27-20(5)28)18(3)24(29)26-19(4)25(30)31/h7-14,17-19,22-23H,15H2,1-6H3,(H,26,29)(H,27,28)(H,30,31)/b13-12+,16-14+/t17-,18-,19+,22-,23-/m0/s1
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PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of California Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Bioorg Med Chem Lett 13: 2907-11 (2003)


Article DOI: 10.1016/s0960-894x(03)00588-2
BindingDB Entry DOI: 10.7270/Q2SF2VKZ
More data for this
Ligand-Target Pair
Serine/threonine protein phosphatase 2A, catalytic subunit, alpha isoform


(Bos taurus)
BDBM50135691
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](C)C(O)=O
Show InChI InChI=1S/C25H36N2O5/c1-16(14-17(2)23(32-6)15-21-10-8-7-9-11-21)12-13-22(27-20(5)28)18(3)24(29)26-19(4)25(30)31/h7-14,17-19,22-23H,15H2,1-6H3,(H,26,29)(H,27,28)(H,30,31)/b13-12+,16-14+/t17-,18-,19+,22-,23-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of California Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 2A (PP2A) using pNPP assay


Bioorg Med Chem Lett 13: 2907-11 (2003)


Article DOI: 10.1016/s0960-894x(03)00588-2
BindingDB Entry DOI: 10.7270/Q2SF2VKZ
More data for this
Ligand-Target Pair
Serine/threonine protein phosphatase 2A, catalytic subunit, alpha isoform


(Bos taurus)
BDBM50135691
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](C)C(O)=O
Show InChI InChI=1S/C25H36N2O5/c1-16(14-17(2)23(32-6)15-21-10-8-7-9-11-21)12-13-22(27-20(5)28)18(3)24(29)26-19(4)25(30)31/h7-14,17-19,22-23H,15H2,1-6H3,(H,26,29)(H,27,28)(H,30,31)/b13-12+,16-14+/t17-,18-,19+,22-,23-/m0/s1
PDB
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NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



University of California Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against protein phosphatase 2A (PP2A) using phosphorylase-a assay


Bioorg Med Chem Lett 13: 2907-11 (2003)


Article DOI: 10.1016/s0960-894x(03)00588-2
BindingDB Entry DOI: 10.7270/Q2SF2VKZ
More data for this
Ligand-Target Pair