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Gene Set: D4 : Boss - ethyl tuads

Collection D4 : Boss
Chemical Name ethyl tuads ( From PubChem : DISULFIRAM )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
ApprovedNotNotApprovedNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
296.539 g/mol 0 6 3.6212 True
Structure
InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
InChIKey AUZONCFQVSMFAP-UHFFFAOYSA-N
Links

Gene (61 / 161)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
BOSSText MiningAKR1B1
BOSSText MiningALDH1B1
BOSSText MiningCLLS2
BOSSText MiningCYGB
BOSSText MiningCYP2C8
PubChem NoneuMABCB1-GI(Protien) :
PubChem IC50uM1.622ABHD5-GI(Protien) :
PubChem IC50uM6.959ABHD5-GI(Protien) :
PubChem NoneuMABHD5-GI(Protien) :
PubChem NoneuMABHD5-GI(Protien) :
PubChem PotencyuM0.651ADRB2-GI(Protien) :
PubChem IC50uM6.637AGTR1-GI(Protien) :
PubChem AhR Potency (uM)uMAHR-GI(Protien) :
PubChem PotencyuM0.089ALDH1A1-GI(Protien) :
PubChem PotencyuM0.100ALDH1A1-GI(Protien) :
PubChem PotencyuM0.178ALDH1A1-GI(Protien) :
PubChem PotencyuM0.200ALDH1A1-GI(Protien) :
PubChem PotencyuM0.282ALDH1A1-GI(Protien) :
PubChem IC50_MeanuM2.630APLNR-GI(Protien) :
PubChem NoneuMAPLNR-GI(Protien) :
PubChem NoneuMAPLNR-GI(Protien) :
PubChem NoneuMAPP-GI(Protien) :
PubChem Potency-Replicate_1uM0.099AR-GI(Protien) :
PubChem Potency-Replicate_1uM0.123AR-GI(Protien) :
PubChem Potency-Replicate_1uM0.217AR-GI(Protien) :
PubChem Potency-Replicate_1uM0.266AR-GI(Protien) :
PubChem Ratio Potency (uM)uM16.031AR-GI(Protien) :
PubChem PotencyuM18.349ATAD5-GI(Protien) :
PubChem PotencyuM0.282CBFB-GI(Protien) :
PubChem PotencyuM0.794CBFB-GI(Protien) :
PubChem NoneuMCBR3-GI(Protien) :
PubChem PotencyuM17.783CBX1-GI(Protien) :
PubChem PotencyuM28.184CBX1-GI(Protien) :
PubChem NoneuMCCR6-GI(Protien) :
PubChem NoneuMCFTR-GI(Protien) :
PubChem NoneuMCHRM1-GI(Protien) :
PubChem NoneuMCXCR6-GI(Protien) :
PubChem Potency-Replicate_1uM0.035CYP19A1-GI(Protien) :
PubChem Potency-Replicate_1uM0.069CYP19A1-GI(Protien) :
PubChem Potency-Replicate_1uM0.168CYP19A1-GI(Protien) :
PubChem NoneuMCYP1A2-GI(Protien) :
PubChem NoneuMCYP1A2-GI(Protien) :
PubChem PotencyuM0.794CYP2C19-GI(Protien) :
PubChem PotencyuM5.012CYP2C19-GI(Protien) :
PubChem NoneuMCYP2C19-GI(Protien) :
PubChem PotencyuM0.398CYP2C9-GI(Protien) :
PubChem PotencyuM2.512CYP2C9-GI(Protien) :
PubChem NoneuMCYP2C9-GI(Protien) :
PubChem PotencyuM7.943CYP3A4-GI(Protien) :
PubChem PotencyuM15.849CYP3A4-GI(Protien) :
PubChem NoneuMCYP3A4-GI(Protien) :
PubChem PotencyuM0.891EHMT2-GI(Protien) :
PubChem PotencyuM1.259EHMT2-GI(Protien) :
PubChem PotencyuM1.337EHMT2-GI(Protien) :
PubChem PotencyuM3.548EHMT2-GI(Protien) :
PubChem NoneuMGFER-GI(Protien) :
PubChem PotencyuM7.943GLS-GI(Protien) :
PubChem PotencyuM0.015GMNN-GI(Protien) :
PubChem PotencyuM0.030GMNN-GI(Protien) :
PubChem PotencyuM0.107GMNN-GI(Protien) :
PubChem PotencyuM0.206GMNN-GI(Protien) :
PubChem PotencyuM14.581GMNN-GI(Protien) :
PubChem PotencyuM21.267GMNN-GI(Protien) :
PubChem PotencyuM2.512HPGD-GI(Protien) :
PubChem PotencyuM2.818HPGD-GI(Protien) :
PubChem PotencyuM3.162HPGD-GI(Protien) :
PubChem PotencyuM3.981HPGD-GI(Protien) :
PubChem AC50_uMuM5.178HSP90AA1-GI(Protien) :
PubChem Ratio Potency (uM)uM0.042HSPB1-GI(Protien) :
PubChem Ratio Potency (uM)uM0.153HSPB1-GI(Protien) :
PubChem Ratio Potency (uM)uM0.750HSPB1-GI(Protien) :
PubChem NoneuMIL1B-GI(Protien) :
PubChem PotencyuM10.000MPHOSPH8-GI(Protien) :
PubChem PotencyuM1.849MTOR-GI(Protien) :
PubChem Potency-Replicate_1uM0.077NFE2L2-GI(Protien) :
PubChem Potency-Replicate_1uM27.306NFE2L2-GI(Protien) :
PubChem PotencyuM7.080NFKB1-GI(Protien) :
PubChem NoneuMNLRP1-GI(Protien) :
PubChem EC50uMNOD1-GI(Protien) :
PubChem Potency-Replicate_1uM70.795NR1I2-GI(Protien) :
PubChem NoneuMNR2E3-GI(Protien) :
PubChem IC50uMPHOSPHO1-GI(Protien) :
PubChem IC50uM6.959PLIN1-GI(Protien) :
PubChem NoneuMPLIN1-GI(Protien) :
PubChem IC50uM1.622PLIN5-GI(Protien) :
PubChem NoneuMPLIN5-GI(Protien) :
PubChem PotencyuM0.844PLK1-GI(Protien) :
PubChem Potency-Replicate_1uM0.087PPARD-GI(Protien) :
PubChem Ratio Potency (uM)uM15.485PPARG-GI(Protien) :
PubChem Ratio Potency (uM)uMPPARG-GI(Protien) :
PubChem NoneuMPRMT1-GI(Protien) :
PubChem NoneuMPRMT1-GI(Protien) :
PubChem NoneuMPTGER2-GI(Protien) :
PubChem PotencyuM1.062RGS4-GI(Protien) :
PubChem PotencyuM0.282RUNX1-GI(Protien) :
PubChem PotencyuM0.794RUNX1-GI(Protien) :
PubChem NoneuMSMARCA2-GI(Protien) :
PubChem NoneuMSTK33-GI(Protien) :
PubChem NoneuMTAAR1-GI(Protien) :
PubChem PotencyuM0.021TDP1-GI(Protien) :
PubChem PotencyuM0.033TDP1-GI(Protien) :
PubChem PotencyuM0.045TDP1-GI(Protien) :
PubChem PotencyuM0.053TDP1-GI(Protien) :
PubChem PotencyuM0.054TDP1-GI(Protien) :
PubChem PotencyuM0.054TDP1-GI(Protien) :
PubChem PotencyuM0.060TDP1-GI(Protien) :
PubChem PotencyuM0.116TDP1-GI(Protien) :
PubChem PotencyuM0.141TDP1-GI(Protien) :
PubChem PotencyuM0.146TDP1-GI(Protien) :
PubChem PotencyuM0.398THPO-GI(Protien) :
PubChem PotencyuM1.259VDR-GI(Protien) :
PubChem PotencyuM3.162VDR-GI(Protien) :
PubChem PotencyuM5.012VDR-GI(Protien) :
PubChem PotencyuM11.220VDR-GI(Protien) :
ChEMBLPotencynM651.300ADRB2
-Target : CHEMBL210
ChEMBLIC50nM6637.000AGTR1
-Target : CHEMBL227
ChEMBLPotencynM199.500ALDH1A1
-Target : CHEMBL3577
ChEMBLPotencynM100.000ALDH1A1
-Target : CHEMBL3577
ChEMBLPotencynM281.800ALDH1A1
-Target : CHEMBL3577
ChEMBLPotencynM177.800ALDH1A1
-Target : CHEMBL3577
ChEMBLPotencynM89.100ALDH1A1
-Target : CHEMBL3577
ChEMBLPotencynM18348.900ATAD5
-Target : CHEMBL1741209
ChEMBLPotencynM794.300CBFB
-Target : CHEMBL2093862
ChEMBLPotencynM281.800CBFB
-Target : CHEMBL2093862
ChEMBLPotencynM28183.800CBX1
-Target : CHEMBL1741193
ChEMBLInhibition-CYP1A2
-Target : CHEMBL3356
ChEMBLAC50nM6309.570CYP1A2
-Target : CHEMBL3356
ChEMBLAC50nM1584.890CYP1A2
-Target : CHEMBL3356
ChEMBLInhibition-CYP2C19
-Target : CHEMBL3622
ChEMBLAC50nM794.330CYP2C19
-Target : CHEMBL3622
ChEMBLPotencynM794.300CYP2C19
-Target : CHEMBL3622
ChEMBLAC50nM5011.870CYP2C19
-Target : CHEMBL3622
ChEMBLPotencynM5011.900CYP2C19
-Target : CHEMBL3622
ChEMBLPotencynM2511.900CYP2C9
-Target : CHEMBL3397
ChEMBLAC50nM2511.890CYP2C9
-Target : CHEMBL3397
ChEMBLPotencynM398.100CYP2C9
-Target : CHEMBL3397
ChEMBLAC50nM398.110CYP2C9
-Target : CHEMBL3397
ChEMBLAC50nM7943.280CYP3A4
-Target : CHEMBL340
ChEMBLPotencynM15848.900CYP3A4
-Target : CHEMBL340
ChEMBLPotencynM7943.300CYP3A4
-Target : CHEMBL340
ChEMBLPotencynM1337.100EHMT2
-Target : CHEMBL6032
ChEMBLPotencynM1258.900EHMT2
-Target : CHEMBL6032
ChEMBLPotencynM3548.100EHMT2
-Target : CHEMBL6032
ChEMBLPotencynM891.300EHMT2
-Target : CHEMBL6032
ChEMBLPotencynM21267.100GMNN
-Target : CHEMBL1293278
ChEMBLPotencynM15.100GMNN
-Target : CHEMBL1293278
ChEMBLPotencynM30.000GMNN
-Target : CHEMBL1293278
ChEMBLPotencynM106.600GMNN
-Target : CHEMBL1293278
ChEMBLPotencynM206.000GMNN
-Target : CHEMBL1293278
ChEMBLPotencynM3162.300HPGD
-Target : CHEMBL1293255
ChEMBLPotencynM3981.100HPGD
-Target : CHEMBL1293255
ChEMBLPotencynM2818.400HPGD
-Target : CHEMBL1293255
ChEMBLPotencynM2511.900HPGD
-Target : CHEMBL1293255
ChEMBLPotencynM158.500HSD17B10
-Target : CHEMBL4159
ChEMBLPotencynM79432.800KDM4A
-Target : CHEMBL5896
ChEMBLPotencynM10000.000MPHOSPH8
-Target : CHEMBL1741210
ChEMBLPotencynM1849.300MTOR
-Target : CHEMBL2842
ChEMBLPotencynM7079.500NFKB1
-Target : CHEMBL3251
ChEMBLPotencynM794.300RUNX1
-Target : CHEMBL2093862
ChEMBLPotencynM281.800RUNX1
-Target : CHEMBL2093862
ChEMBLPotencynM398.100THPO
-Target : CHEMBL1293256
Download gene sets gmt, text, Detailed text
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12801 East 17th Avenue
Division of Medical Oncology , Department of Medicine
University of Colorado School of Medicine
Aurora, CO 80045, USA

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