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Gene Set: D4 : Boss - clinoril


Collection D4 : Boss
Chemical Name clinoril ( From PubChem : SULINDAC )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
ApprovedNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
356.411 g/mol 1 3 5.2312 False(3/4)
Structure
InChI InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-/t25-/m1/s1
InChIKey MLKXDPUZXIRXEP-LQVWSKNFSA-N
Links

Gene (23 / 38)


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Source Type Unit Value Gene PMID Assay Other
BOSSText MiningAPP
BOSSText MiningBCL2
BOSSText MiningCASP3
BOSSText MiningCOX8C
BOSSText MiningDDR2
BOSSText MiningELF3
BOSSText MiningEPHB2
BOSSText MiningGDF15
BOSSText MiningJUP
BOSSText MiningPTGS1
BOSSText MiningRNASEH2A
BOSSText MiningSLC25A21
PubChem Potency-Replicate_1uM13.333AHR-GI(Protien) :
PubChem AhR Potency (uM)uM16.580AHR-GI(Protien) :
PubChem AhR Potency (uM)uM17.780AHR-GI(Protien) :
PubChem Potency-Replicate_1uM24.337AHR-GI(Protien) :
PubChem NoneuMCYP1A2-GI(Protien) :
PubChem NoneuMCYP1A2-GI(Protien) :
PubChem PotencyuM12.589CYP2C9-GI(Protien) :
PubChem NoneuMCYP2C9-GI(Protien) :
PubChem PotencyuM8.437EHMT2-GI(Protien) :
PubChem Ratio Potency (uM)uM29.484NFE2L2-GI(Protien) :
PubChem PotencyuM11.886TDP1-GI(Protien) :
ChEMBLAC50nM12589.200CYP1A2
-Target : CHEMBL3356
ChEMBLInhibition-CYP1A2
-Target : CHEMBL3356
ChEMBLAC50nM3981.070CYP1A2
-Target : CHEMBL3356
ChEMBLInhibition-CYP2C19
-Target : CHEMBL3622
ChEMBLAC50nM12589.200CYP2C9
-Target : CHEMBL3397
ChEMBLInhibition-CYP2C9
-Target : CHEMBL3397
ChEMBLPotencynM12589.300CYP2C9
-Target : CHEMBL3397
ChEMBLInhibition-CYP2D6
-Target : CHEMBL289
ChEMBLInhibition-CYP3A4
-Target : CHEMBL340
ChEMBLInhibition-CYP3A4
-Target : CHEMBL340
ChEMBLPotencynM8436.800EHMT2
-Target : CHEMBL6032
ChEMBLPotencynM35481.300KDM4E
-Target : CHEMBL1293226
ChEMBLInhibition-RXRA
-Target : CHEMBL2061
ChEMBLInhibition-RXRA
-Target : CHEMBL2061
ChEMBLInhibition-RXRA
-Target : CHEMBL2061
Download gene sets gmt, text, Detailed text
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Aurora, CO 80045, USA

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