Showing entry for bilobalide


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0037134
Compound Namebilobalide
Structure
FormulaC15H18O8
InchiKeyMOLPUWBMSBJXER-YDGSQGCISA-N
SMILESO=C1O[C@@H]2[C@@]3(C1)C(=O)O[C@H]1[C@]3([C@](C2)(O)C(C)(C)C)[C@@H](O)C(=O)O1
InchiInChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13-,14+,15+/m0/s1
IUPAC
Molecular Weight326.1
Pubchem Id73581
Chembl IdCHEMBL1318117
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
CHEMBL CHEMBL1318117
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
O75469 BXGT005128 Nuclear receptor subfamily 1 group I member 2 reviewed Nuclear receptor NR1I2 Activity - - -
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 39810 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 39810 nM
Q9QUS1 BXGT021379 Nuclear receptor subfamily 1 group I member 3 reviewed - Nr1i3 Activity '=' 115 %
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency '=' 2511 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 2238 nM
Q14994 BXGT013519 Nuclear receptor subfamily 1 group I member 3 reviewed Nuclear receptor NR1I3 Activity - - -
Q9QUS1 BXGT021379 Nuclear receptor subfamily 1 group I member 3 reviewed - Nr1i3 Activity '=' 176 %
Q9QUS1 BXGT021379 Nuclear receptor subfamily 1 group I member 3 reviewed - Nr1i3 Activity '=' 189 %
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 5011 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 22387 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 22387 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 15848 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 15848 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 2818 nM
Q9QUS1 BXGT021379 Nuclear receptor subfamily 1 group I member 3 reviewed - Nr1i3 Activity '=' 83 %
Q9QUS1 BXGT021379 Nuclear receptor subfamily 1 group I member 3 reviewed - Nr1i3 Activity '=' 64 %
Q9QUS1 BXGT021379 Nuclear receptor subfamily 1 group I member 3 reviewed - Nr1i3 Activity '=' 6 %
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 163 nM
Q9R1A7 BXGT021413 Nuclear receptor subfamily 1 group I member 2 reviewed - Nr1i2 Activity - - -
Q9QUS1 BXGT021379 Nuclear receptor subfamily 1 group I member 3 reviewed - Nr1i3 Activity '=' 30 %
Q9QUS1 BXGT021379 Nuclear receptor subfamily 1 group I member 3 reviewed - Nr1i3 Activity - - -
Q9R1A7 BXGT021413 Nuclear receptor subfamily 1 group I member 2 reviewed - Nr1i2 Inhibition - - -
Q9QUS1 BXGT021379 Nuclear receptor subfamily 1 group I member 3 reviewed - Nr1i3 Activity '=' 37 %
Q9QUS1 BXGT021379 Nuclear receptor subfamily 1 group I member 3 reviewed - Nr1i3 Activity '=' 18 %
O75469 BXGT005128 Nuclear receptor subfamily 1 group I member 2 reviewed Nuclear receptor NR1I2 Inhibition - - -
Q14994 BXGT013519 Nuclear receptor subfamily 1 group I member 3 reviewed Nuclear receptor NR1I3 Inhibition - - -
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 28183 nM
Q9QUS1 BXGT021379 Nuclear receptor subfamily 1 group I member 3 reviewed - Nr1i3 Activity '=' 44 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00337 Ginkgo nuts Ginkgo biloba Herbs and Spices
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease