Tan Lab | DSigDB

Gene Set: D4 : Boss - diprol

Collection

D4 : Boss

Chemical Name

diprol ( 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 (39 / 67)

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Source	Type	Unit	Value	Gene	PMID	Other
BOSS	Text Mining			ABCC2
BOSS	Text Mining			AKR1B1
BOSS	Text Mining			BBS9
BOSS	Text Mining			CDT1
BOSS	Text Mining			CYGB
BOSS	Text Mining			CYP2B6
BOSS	Text Mining			CYP2C8
BOSS	Text Mining			DSG1
BOSS	Text Mining			EREG
BOSS	Text Mining			ESR1
BOSS	Text Mining			ESR2
BOSS	Text Mining			F9
BOSS	Text Mining			GGH
BOSS	Text Mining			HLP
BOSS	Text Mining			IGFBP1
BOSS	Text Mining			INS
BOSS	Text Mining			PGR
BOSS	Text Mining			SHBG
BOSS	Text Mining			SRPX
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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