Tan Lab | DSigDB

Gene Set: D4 : TTD - Estradiol

Collection

D4 : TTD

Chemical Name

Estradiol ( From PubChem : 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
272.382 g/mol	2	2	3.6092	True

Structure

InChI

InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1

InChIKey

VOXZDWNPVJITMN-ZBRFXRBCSA-N

Links

Gene (18 / 59)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Agonist			ESR1		Successful target
TTD	Drug(s)			ESR1		Successful target
PubChem	Ratio Potency (uM)	uM	0.060	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	1.230	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	1.369	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	1.532	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	1.737	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	2.131	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	2.449	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	2.771	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	2.897	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	3.349	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	51.868	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM		AR	-	GI(Protien) :
PubChem	None	uM		CYP19A1	-	GI(Protien) :
PubChem	Potency	uM	19.953	EHMT2	-	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	0.001	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	61.006	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	65.873	ESR1	-	GI(Protien) :
PubChem	None	uM		ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM		ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM		ESR1	-	GI(Protien) :
PubChem	None	uM		NR1H4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	2.183	NR3C1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	4.253	NR3C1	-	GI(Protien) :
PubChem	Potency	uM	7.080	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	39.811	PPARG	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :
PubChem	None	uM		STK33	-	GI(Protien) :
PubChem	Potency	uM	16.789	TDP1	-	GI(Protien) :
PubChem	Potency	uM	23.109	TDP1	-	GI(Protien) :
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	19952.600	EHMT2	-	Target : CHEMBL6032
ChEMBL	Activity	-		ESR1	-	Target : CHEMBL206
ChEMBL	Activity	-		ESR1	-	Target : CHEMBL206
ChEMBL	Activity	-		ESR1	-	Target : CHEMBL206
ChEMBL	Activity	-		ESR1	-	Target : CHEMBL206
ChEMBL	Activity	-		ESR1	-	Target : CHEMBL206
ChEMBL	Activity	-		ESR1	-	Target : CHEMBL206
ChEMBL	Activity	-		ESR1	-	Target : CHEMBL206
ChEMBL	Activity	-		ESR1	-	Target : CHEMBL206
ChEMBL	Activity	-		ESR1	-	Target : CHEMBL206
ChEMBL	Activity	-		ESR2	-	Target : CHEMBL242
ChEMBL	Activity	-		ESR2	-	Target : CHEMBL242
ChEMBL	Activity	-		ESR2	-	Target : CHEMBL242
ChEMBL	Activity	-		ESR2	-	Target : CHEMBL242
ChEMBL	Activity	-		ESR2	-	Target : CHEMBL242
ChEMBL	Activity	-		ESRRA	-	Target : CHEMBL3429
ChEMBL	Activity	-		ESRRA	-	Target : CHEMBL3429
ChEMBL	Activity	-		GPER1	-	Target : CHEMBL5872
ChEMBL	Activity	-		GPER1	-	Target : CHEMBL5872
ChEMBL	Potency	nM	31622.800	RECQL	-	Target : CHEMBL1293236

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