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Drug SIGnatures DataBase Collection of Annoated Drug / Compound Gene Sets

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Gene Set: D4 : CTD - 1-(6-((3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione

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Collection	D4 : CTD
Chemical Name	1-(6-((3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione ( From PubChem : U-73122 )
FDA NPC WHO Indian Australia China Traditional Herbal Clinical Trail Not Not Not Not Not Not Not Not
Molecular Weight Hydrogen Bond Donor Count Hydrogen Bond Acceptor Count cLogP Lipinski Rule 464.639 g/mol 1 5 5.3237 False(3/4)
Structure
InChI	InChI=1S/C29H40N2O3/c1-29-16-15-23-22-10-8-21(34-2)19-20(22)7-9-24(23)25(29)11-12-26(29)30-17-5-3-4-6-18-31-27(32)13-14-28(31)33/h8,10,13-14,19,23-26,30H,3-7,9,11-12,15-18H2,1-2H3/t23-,24+,25+,26+,29-/m0/s1
InChIKey	LUFAORPFSVMJIW-GRDIGNMCSA-N
Links
Gene (23 / 67) ⊖ Less	Source Type Unit Value Gene PMID Assay Other CTD affects(binding) ADRA2A C060229 CTD decreases(reaction) ADRA2A C060229 CTD increases(activity) ADRA2A C060229 CTD decreases(reaction) AKT1 C060229 CTD increases(activity) AKT1 C060229 CTD increases(phosphorylation) AKT1 C060229 CTD decreases(reaction) APOA1 C060229 CTD increases(expression) APOA1 C060229 CTD decreases(reaction) CASP3 C060229 CTD increases(activity) CASP3 C060229 CTD decreases(reaction) CASR C060229 CTD increases(uptake) CASR C060229 CTD decreases(reaction) CD40 C060229 CTD increases(expression) CD40 C060229 CTD decreases(reaction) CSF2 C060229 CTD increases(secretion) CSF2 C060229 CTD decreases(reaction) EGFR C060229 CTD increases(activity) EGFR C060229 CTD increases(phosphorylation) EGFR C060229 CTD affects(localization) IL1B C060229 CTD decreases(reaction) IL1B C060229 CTD increases(expression) IL1B C060229 CTD increases(phosphorylation) IL1B C060229 CTD decreases(reaction) MAPK1 C060229 CTD increases(phosphorylation) MAPK1 C060229 CTD decreases(reaction) MAPK1 C060229 CTD increases(activity) MAPK1 C060229 CTD increases(phosphorylation) MAPK1 C060229 CTD decreases(reaction) MAPK1 C060229 CTD increases(phosphorylation) MAPK1 C060229 CTD decreases(reaction) MAPK3 C060229 CTD increases(phosphorylation) MAPK3 C060229 CTD decreases(reaction) MAPK3 C060229 CTD increases(activity) MAPK3 C060229 CTD increases(phosphorylation) MAPK3 C060229 CTD decreases(reaction) MAPK3 C060229 CTD increases(phosphorylation) MAPK3 C060229 CTD decreases(reaction) MAPK8 C060229 CTD increases(activity) MAPK8 C060229 CTD decreases(reaction) MMP1 C060229 CTD increases(expression) MMP1 C060229 CTD increases(secretion) MMP1 C060229 CTD decreases(reaction) NTS C060229 CTD increases(activity) NTS C060229 CTD increases(phosphorylation) NTS C060229 CTD affects(localization) PRKCA C060229 CTD decreases(reaction) PRKCA C060229 CTD decreases(reaction) SELP C060229 CTD increases(expression) SELP C060229 CTD increases(reaction) SELP C060229 CTD decreases(reaction) SRC C060229 CTD increases(phosphorylation) SRC C060229 CTD decreases(reaction) VCAM1 C060229 CTD increases(expression) VCAM1 C060229 PubChem Potency uM 0.501 ALDH1A1 - GI(Protien) : PubChem Potency uM 5.011 ALDH1A1 - GI(Protien) : PubChem Potency uM 50.119 CBX1 - GI(Protien) : PubChem Potency uM 2.512 EHMT2 - GI(Protien) : ChEMBL Potency nM 5011.000 ALDH1A1 - Target : CHEMBL3577 ChEMBL Potency nM 501.200 ALDH1A1 - Target : CHEMBL3577 ChEMBL Potency nM 112.200 ALDH1A1 - Target : CHEMBL3577 ChEMBL Potency nM 501.200 ALDH1A1 - Target : CHEMBL3577 ChEMBL Potency nM 12589.300 ALOX15 - Target : CHEMBL2903 ChEMBL Potency nM 50118.700 CBX1 - Target : CHEMBL1741193 ChEMBL AC50 nM 10000.000 CYP2D6 - Target : CHEMBL289 ChEMBL Potency nM 10000.000 CYP2D6 - Target : CHEMBL289 ChEMBL Potency nM 2511.900 EHMT2 - Target : CHEMBL6032
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