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Drug SIGnatures DataBase Collection of Annoated Drug / Compound Gene Sets

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Gene Set: D4 : TTD - Ethinyl Estradiol

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Collection	D4 : TTD
Chemical Name	Ethinyl Estradiol ( From PubChem : ETHINYL ESTRADIOL )
FDA NPC WHO Indian Australia China Traditional Herbal Clinical Trail Approved Not Approved Approved Not Approved Approved Not
Molecular Weight Hydrogen Bond Donor Count Hydrogen Bond Acceptor Count cLogP Lipinski Rule 296.403 g/mol 2 2 3.6126 True
Structure
InChI	InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
InChIKey	BFPYWIDHMRZLRN-SLHNCBLASA-N
Links
Gene (21 / 50) ⊖ Less	Source Type Unit Value Gene PMID Assay Other TTD Agonist ESR1 Successful target TTD Drug(s) ESR1 Successful target PubChem Ratio Potency (uM) uM 0.747 AR - GI(Protien) : PubChem Ratio Potency (uM) uM 2.391 AR - GI(Protien) : PubChem Ratio Potency (uM) uM 2.437 AR - GI(Protien) : PubChem Potency-Replicate_1 uM 3.011 AR - GI(Protien) : PubChem Ratio Potency (uM) uM 4.535 AR - GI(Protien) : PubChem Potency-Replicate_1 uM 6.869 AR - GI(Protien) : PubChem AR Potency (uM) uM 6.944 AR - GI(Protien) : PubChem AR Potency (uM) uM 22.538 AR - GI(Protien) : PubChem Potency-Replicate_1 uM 24.337 AR - GI(Protien) : PubChem AR Potency (uM) uM 26.091 AR - GI(Protien) : PubChem Potency-Replicate_1 uM 27.112 AR - GI(Protien) : PubChem None uM CASP1 - GI(Protien) : PubChem Potency uM 74.978 CXCL8 - GI(Protien) : PubChem Potency uM 15.849 CYP3A4 - GI(Protien) : PubChem Ratio Potency (uM) uM 0.001 ESR1 - GI(Protien) : PubChem Ratio Potency (uM) uM 0.001 ESR1 - GI(Protien) : PubChem Potency-Replicate_1 uM 0.001 ESR1 - GI(Protien) : PubChem Ratio Potency (uM) uM 0.002 ESR1 - GI(Protien) : PubChem Potency-Replicate_1 uM 0.002 ESR1 - GI(Protien) : PubChem Potency-Replicate_1 uM 54.095 ESR1 - GI(Protien) : PubChem ER Potency (uM) uM 54.095 ESR1 - GI(Protien) : PubChem Potency-Replicate_1 uM ESR1 - GI(Protien) : PubChem Potency-Replicate_1 uM ESR1 - GI(Protien) : PubChem Potency uM 18.356 GMNN - GI(Protien) : PubChem Potency uM 23.715 GMNN - GI(Protien) : PubChem Ratio Potency (uM) uM 45.032 HSPB1 - GI(Protien) : PubChem Potency uM 9.200 IDH1 - GI(Protien) : PubChem None uM KCNQ1 - GI(Protien) : PubChem None uM NLRP1 - GI(Protien) : PubChem None uM NLRP1 - GI(Protien) : PubChem None uM NLRP3 - GI(Protien) : PubChem None uM NLRP3 - GI(Protien) : PubChem None uM NLRP3 - GI(Protien) : PubChem Potency-Replicate_1 uM 11.882 NR1H4 - GI(Protien) : PubChem None uM NR1H4 - GI(Protien) : PubChem Potency-Replicate_1 uM 12.589 NR1I2 - GI(Protien) : PubChem Potency-Replicate_1 uM 39.811 NR1I2 - GI(Protien) : PubChem Potency-Replicate_1 uM 1.538 NR3C1 - GI(Protien) : PubChem Potency uM 10.000 NR3C1 - GI(Protien) : PubChem Potency uM 12.589 NR3C1 - GI(Protien) : PubChem None uM NR3C1 - GI(Protien) : PubChem None uM PPARD - GI(Protien) : PubChem Potency uM 14.963 TDP1 - GI(Protien) : ChEMBL Inhibition - CYP1A2 - Target : CHEMBL3356 ChEMBL Inhibition - CYP2C19 - Target : CHEMBL3622 ChEMBL Inhibition - CYP2C9 - Target : CHEMBL3397 ChEMBL Inhibition - CYP2D6 - Target : CHEMBL289 ChEMBL Activity - NR1I3 - Target : CHEMBL5503
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