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BDBM50349826 SYRINGARESINOL

SMILES: COc1cc(cc(OC)c1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(O)c(OC)c1

InChI Key: InChIKey=KOWMJRJXZMEZLD-HCIHMXRSSA-N

Data: 3 IC50  2 Kd  1 EC50

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 6 hits for monomerid = 50349826   
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
Forkhead box protein O3


(Homo sapiens (Human))
BDBM50349826
PNG
(SYRINGARESINOL)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(O)c(OC)c1 |r|
Show InChI InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1
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PubMed
n/an/an/a 1.73E+6n/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged FOXO3a (unknown origin) by SPR analysis


Bioorg Med Chem Lett 25: 307-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.045
BindingDB Entry DOI: 10.7270/Q2JH3NS2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50349826
PNG
(SYRINGARESINOL)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(O)c(OC)c1 |r|
Show InChI InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1
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n/an/an/an/a 1.81E+4n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Activation of PPARbeta-LBD (unknown origin) assessed as fluorescein-labeled coactivator C33 recruitment by TR-FRET assay


Bioorg Med Chem Lett 26: 3978-83 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KMD
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50349826
PNG
(SYRINGARESINOL)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(O)c(OC)c1 |r|
Show InChI InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1
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n/an/a 1.37E+4n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50349826
PNG
(SYRINGARESINOL)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(O)c(OC)c1 |r|
Show InChI InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Institute of Medicinal Plant Development

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA after 10 mins by ELISA reader


J Nat Prod 74: 1009-14 (2011)


Article DOI: 10.1021/np100900k
BindingDB Entry DOI: 10.7270/Q2TQ61WN
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50349826
PNG
(SYRINGARESINOL)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(O)c(OC)c1 |r|
Show InChI InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
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n/an/a 1.50E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) assessed as p-nitrophenol release from pNPP substrate after 30 mins by spectrophotometry


J Nat Prod 76: 2080-7 (2013)


Article DOI: 10.1021/np400533h
BindingDB Entry DOI: 10.7270/Q23J3FFD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50349826
PNG
(SYRINGARESINOL)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(O)c(OC)c1 |r|
Show InChI InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1
PDB

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n/an/an/a 2.76E+4n/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PPARbeta-LBD (254 to 441 residues) (unknown origin) expressed in Escherichia coli Rosetta2 cells by isothermal titrat...


Bioorg Med Chem Lett 26: 3978-83 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KMD
More data for this
Ligand-Target Pair