Tan Lab | DSigDB

Gene Set: D4 : CTD - benzo(e)pyrene

Collection

D4 : CTD

Chemical Name

benzo(e)pyrene ( From PubChem : BENZO[E]PYRENE )

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
252.309 g/mol	0	0	5.7372	False(3/4)

Structure

InChI

InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H

InChIKey

Links

Gene (15 / 25)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(expression)			ABCB1		C026487
CTD	increases(activity)			CASP12		C026487
CTD	increases(activity)			CASP3		C026487
CTD	decreases(reaction)			CASP3		C026487
CTD	increases(activity)			CASP3		C026487
CTD	increases(activity)			CASP7		C026487
CTD	decreases(reaction)			CASP7		C026487
CTD	increases(activity)			CASP7		C026487
CTD	increases(activity)			CASP8		C026487
CTD	increases(activity)			CASP9		C026487
CTD	decreases(reaction)			CASP9		C026487
CTD	increases(activity)			CASP9		C026487
PubChem	None	uM		ABL1	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	4.584	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	7.214	AHR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	51.525	AR	-	GI(Protien) :
PubChem	Potency	uM	6.859	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	28.718	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	60.696	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	45.922	NR3C1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	56.713	PPARG	-	GI(Protien) :
PubChem	None	uM		RIN1	-	GI(Protien) :
PubChem	Potency	uM	29.849	TNF	-	GI(Protien) :
ChEMBL	Potency	nM	31622.800	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	25118.900	HSD17B10	-	Target : CHEMBL4159

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