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

InChI Key: InChIKey=YCXMBQLDYSVHCH-GPTSMBQRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50135678   
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
Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B


(Gallus gallus)
BDBM50135678
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Amino-9-methoxy-2,6...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](N)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)CC(=O)N[C@H](C)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H46N4O8/c1-19(16-20(2)26(43-6)17-23-10-8-7-9-11-23)12-13-24(32)21(3)29(38)34-25(31(41)42)14-15-28(37)35(5)18-27(36)33-22(4)30(39)40/h7-13,16,20-22,24-26H,14-15,17-18,32H2,1-6H3,(H,33,36)(H,34,38)(H,39,40)(H,41,42)/b13-12+,19-16+/t20-,21-,22+,24-,25+,26-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.70E+5n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against protein phosphatase 2A using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
Protein phosphatase 1A


(Homo sapiens (Human))
BDBM50135678
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Amino-9-methoxy-2,6...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](N)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)CC(=O)N[C@H](C)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H46N4O8/c1-19(16-20(2)26(43-6)17-23-10-8-7-9-11-23)12-13-24(32)21(3)29(38)34-25(31(41)42)14-15-28(37)35(5)18-27(36)33-22(4)30(39)40/h7-13,16,20-22,24-26H,14-15,17-18,32H2,1-6H3,(H,33,36)(H,34,38)(H,39,40)(H,41,42)/b13-12+,19-16+/t20-,21-,22+,24-,25+,26-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.80E+5n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair