Tan Lab | DSigDB

Gene Set: D4 : TTD - genistein

Collection

D4 : TTD

Chemical Name

genistein ( From PubChem : GENISTEIN )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Not	Not	Not	Approved	Not	Not	Not	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
270.237 g/mol	3	5	2.5768	True

Structure

InChI

InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H

InChIKey

TZBJGXHYKVUXJN-UHFFFAOYSA-N

Links

Gene (32 / 91)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ESR1		Successful target
TTD	Inhibitor			ESR2		Successful target
TTD	Agonist			PPARG		Successful target
TTD	Drug(s)			PPARG		Successful target
TTD	Inhibitor			TOP2A		Successful target
TTD	Inhibitor			TOP2B		Successful target
PubChem	AhR Potency (uM)	uM	4.216	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	7.406	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	12.197	AHR	-	GI(Protien) :
PubChem	Potency	uM	12.589	AHR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	24.131	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	34.665	AR	-	GI(Protien) :
PubChem	Potency	uM	9.196	ATAD5	-	GI(Protien) :
PubChem	Potency	uM	16.354	ATAD5	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	19.953	CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	0.398	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.849	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	2.660	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	3.064	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	4.633	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	6.007	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	6.801	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	8.158	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	10.155	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	12.300	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	43.641	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	46.227	ESR1	-	GI(Protien) :
PubChem	Potency	uM	15.849	GBA	-	GI(Protien) :
PubChem	None	uM		GEM	-	GI(Protien) :
PubChem	Potency	uM	19.953	HPGD	-	GI(Protien) :
PubChem	Potency	uM	25.119	HPGD	-	GI(Protien) :
PubChem	None	uM		HPGD	-	GI(Protien) :
PubChem	None	uM		ITPKC	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	4.959	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	6.741	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	9.688	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	10.590	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	11.296	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	11.882	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	13.333	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	5.805	NPC1	-	GI(Protien) :
PubChem	None	uM		NR0B1	-	GI(Protien) :
PubChem	Potency	uM	25.119	NR1H4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	26.601	NR1H4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	38.895	NR1H4	-	GI(Protien) :
PubChem	None	uM		NR1H4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	19.953	NR1I2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	44.668	NR1I2	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	8.200	PARK2	-	GI(Protien) :
PubChem	None	uM		PIM2	-	GI(Protien) :
PubChem	None	uM		PPARD	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	38.895	PPARG	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	48.147	PPARG	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :
PubChem	Potency	uM	12.589	RAB9A	-	GI(Protien) :
PubChem	Potency	uM	35.481	RXRA	-	GI(Protien) :
PubChem	None	uM		SMARCA2	-	GI(Protien) :
PubChem	None	uM		SMARCA2	-	GI(Protien) :
PubChem	Potency	uM	22.387	SMN2	-	GI(Protien) :
PubChem	Potency	uM	25.119	SMN2	-	GI(Protien) :
PubChem	Potency	uM	28.184	SMN2	-	GI(Protien) :
PubChem	Potency	uM	11.886	TDP1	-	GI(Protien) :
PubChem	Potency	uM	13.336	TDP1	-	GI(Protien) :
PubChem	Potency	uM	18.356	TDP1	-	GI(Protien) :
PubChem	Potency	uM	1.585	THPO	-	GI(Protien) :
PubChem	Potency	uM	10.000	TP53	-	GI(Protien) :
ChEMBL	Potency	nM	9196.200	ATAD5	-	Target : CHEMBL1741209
ChEMBL	Potency	nM	16353.500	ATAD5	-	Target : CHEMBL1741209
ChEMBL	AC50	nM	5011.870	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	19952.600	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	12589.200	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	12589.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Activity	-		ESR1	-	Target : CHEMBL206
ChEMBL	Activity	-		ESR1	-	Target : CHEMBL206
ChEMBL	Potency	nM	15848.900	GBA	-	Target : CHEMBL2179
ChEMBL	Potency	nM	19952.600	HPGD	-	Target : CHEMBL1293255
ChEMBL	Potency	nM	25118.900	HPGD	-	Target : CHEMBL1293255
ChEMBL	Potency	nM	5804.800	NPC1	-	Target : CHEMBL1293277
ChEMBL	Potency	nM	12589.300	RAB9A	-	Target : CHEMBL1293294
ChEMBL	Potency	nM	22387.200	SMN1; SMN2	-	Target : CHEMBL1293232
ChEMBL	Potency	nM	25118.900	SMN1; SMN2	-	Target : CHEMBL1293232
ChEMBL	Potency	nM	28183.800	SMN1; SMN2	-	Target : CHEMBL1293232
ChEMBL	Potency	nM	1584.900	THPO	-	Target : CHEMBL1293256
ChEMBL	Activity	-		TOP2A	-	Target : CHEMBL1806
ChEMBL	Activity	-		TOP2A	-	Target : CHEMBL1806
ChEMBL	Potency	nM	10000.000	TP53	-	Target : CHEMBL4096

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