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Gene Set: D4 : Boss - isoaurostatin

Collection D4 : Boss
Chemical Name isoaurostatin ( From PubChem : DAIDZEIN )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotApprovedNotApprovedApprovedNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
254.238 g/mol 2 4 2.8712 True
Structure
InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
InChIKey ZQSIJRDFPHDXIC-UHFFFAOYSA-N
Links

Gene (48 / 78)


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Source Type Unit Value Gene PMID Assay Other
BOSSText MiningABCA1
BOSSText MiningABCG2
BOSSText MiningAKR1B1
BOSSText MiningBBS9
BOSSText MiningBCL2
BOSSText MiningBRCA1
BOSSText MiningCASP3
BOSSText MiningCASP9
BOSSText MiningCBL
BOSSText MiningCBX8
BOSSText MiningCDT1
BOSSText MiningCEACAM1
BOSSText MiningCYGB
BOSSText MiningCYP21A2
BOSSText MiningCYP2B6
BOSSText MiningEPHB2
BOSSText MiningEREG
BOSSText MiningESR1
BOSSText MiningESR2
BOSSText MiningIL6
BOSSText MiningINS
BOSSText MiningLEP
BOSSText MiningMMP9
BOSSText MiningNFKB2
BOSSText MiningPGR
BOSSText MiningPNPLA3
BOSSText MiningPRG4
BOSSText MiningSLC7A1
BOSSText MiningTAS2R62P
BOSSText MiningTNF
PubChem AhR Potency (uM)uM8.547AHR-GI(Protien) :
PubChem PotencyuM20.588ATAD5-GI(Protien) :
PubChem NoneuMCYP1A2-GI(Protien) :
PubChem NoneuMCYP1A2-GI(Protien) :
PubChem PotencyuM10.000CYP2C19-GI(Protien) :
PubChem NoneuMCYP2C19-GI(Protien) :
PubChem PotencyuM6.310CYP2C9-GI(Protien) :
PubChem NoneuMCYP2C9-GI(Protien) :
PubChem PotencyuM15.849CYP2D6-GI(Protien) :
PubChem NoneuMCYP2D6-GI(Protien) :
PubChem PotencyuM0.794ESR1-GI(Protien) :
PubChem PotencyuM0.891ESR1-GI(Protien) :
PubChem Potency-Replicate_1uM1.520ESR1-GI(Protien) :
PubChem Potency-Replicate_1uM3.059ESR1-GI(Protien) :
PubChem Ratio Potency (uM)uM4.322ESR1-GI(Protien) :
PubChem NoneuMMRGPRX1-GI(Protien) :
PubChem PotencyuM27.306NFE2L2-GI(Protien) :
PubChem PotencyuM42.163NFE2L2-GI(Protien) :
PubChem PotencyuM9.200NPC1-GI(Protien) :
PubChem Potency-Replicate_1uM44.668NR1I2-GI(Protien) :
PubChem NoneuMNR3C1-GI(Protien) :
PubChem NoneuMPIM2-GI(Protien) :
PubChem PotencyuM10.000RAB9A-GI(Protien) :
PubChem IC50uM91.260RACGAP1-GI(Protien) :
PubChem PotencyuM12.589SMN2-GI(Protien) :
PubChem PotencyuM15.849SMN2-GI(Protien) :
PubChem PotencyuM28.184SMN2-GI(Protien) :
PubChem PotencyuM10.000TP53-GI(Protien) :
ChEMBLPotencynM20587.800ATAD5
-Target : CHEMBL1741209
ChEMBLAC50nM15848.900CYP1A2
-Target : CHEMBL3356
ChEMBLAC50nM10000.000CYP2C19
-Target : CHEMBL3622
ChEMBLPotencynM10000.000CYP2C19
-Target : CHEMBL3622
ChEMBLPotencynM6309.600CYP2C9
-Target : CHEMBL3397
ChEMBLAC50nM6309.570CYP2C9
-Target : CHEMBL3397
ChEMBLAC50nM15848.900CYP2D6
-Target : CHEMBL289
ChEMBLPotencynM15848.900CYP2D6
-Target : CHEMBL289
ChEMBLActivity-ESR1
-Target : CHEMBL206
ChEMBLActivity-ESR1
-Target : CHEMBL206
ChEMBLActivity-ESR1
-Target : CHEMBL206
ChEMBLPotencynM25118.900HSD17B10
-Target : CHEMBL4159
ChEMBLPotencynM31622.800HSD17B10
-Target : CHEMBL4159
ChEMBLPotencynM31622.800HSD17B10
-Target : CHEMBL4159
ChEMBLPotencynM9200.000NPC1
-Target : CHEMBL1293277
ChEMBLPotencynM10000.000RAB9A
-Target : CHEMBL1293294
ChEMBLPotencynM12589.300SMN1; SMN2
-Target : CHEMBL1293232
ChEMBLPotencynM28183.800SMN1; SMN2
-Target : CHEMBL1293232
ChEMBLPotencynM15848.900SMN1; SMN2
-Target : CHEMBL1293232
ChEMBLPotencynM10000.000TP53
-Target : CHEMBL4096
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