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Gene Set: D4 : TTD - Silymarin


Collection D4 : TTD
Chemical Name Silymarin ( From PubChem : SILYBIN )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
482.436 g/mol 5 10 2.3627 True
Structure
InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m1/s1
InChIKey SEBFKMXJBCUCAI-HVHOJJEHSA-N
Links

Gene (15 / 31)


⊖ Less

Source Type Unit Value Gene PMID Assay Other
TTDInhibitorALOX5Successful target
PubChem PotencyuM12.589CYP3A4-GI(Protien) :
PubChem PotencyuM50.119EHMT2-GI(Protien) :
PubChem PotencyuM25.929GMNN-GI(Protien) :
PubChem NoneuMLYPLA2-GI(Protien) :
PubChem NoneuMLYPLA2-GI(Protien) :
PubChem NoneuMLYPLA2-GI(Protien) :
PubChem NoneuMMRGPRX1-GI(Protien) :
PubChem NoneuMPTGER2-GI(Protien) :
PubChem PotencyuM12.995TDP1-GI(Protien) :
PubChem PotencyuM20.596TDP1-GI(Protien) :
PubChem AhR Potency (uM)uM36.302AHR-GI(Protien) :
PubChem PotencyuM14.125ALDH1A1-GI(Protien) :
PubChem PotencyuM10.000CYP3A4-GI(Protien) :
PubChem NoneuMGFER-GI(Protien) :
PubChem Ratio Potency (uM)uM33.489HSPB1-GI(Protien) :
PubChem NoneuMLYPLA1-GI(Protien) :
PubChem NoneuMLYPLA1-GI(Protien) :
PubChem NoneuMLYPLA2-GI(Protien) :
PubChem NoneuMLYPLA2-GI(Protien) :
PubChem PotencyuM16.789TDP1-GI(Protien) :
ChEMBLPotencynM14125.400ALDH1A1
-Target : CHEMBL3577
ChEMBLPotencynM10000.000CYP3A4
-Target : CHEMBL340
ChEMBLPotencynM12589.300CYP3A4
-Target : CHEMBL340
ChEMBLPotencynM50118.700EHMT2
-Target : CHEMBL6032
ChEMBLInhibition-F2
-Target : CHEMBL204
ChEMBLInhibition-F2
-Target : CHEMBL204
ChEMBLInhibition-F2
-Target : CHEMBL204
ChEMBLInhibition-F2
-Target : CHEMBL204
ChEMBLInhibition-F2
-Target : CHEMBL204
ChEMBLPotencynM31622.800HSD17B10
-Target : CHEMBL4159
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