Tan Lab | DSigDB

Gene Set: D4 : TTD - DIADZEIN

Collection

D4 : TTD

Chemical Name

DIADZEIN ( From PubChem : DAIDZEIN )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
254.238 g/mol	2	4	2.8712	True

Structure

InChI

InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H

InChIKey

ZQSIJRDFPHDXIC-UHFFFAOYSA-N

Links

Gene (21 / 51)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			AKR1B1		Successful target
TTD	Inhibitor			ESR1		Successful target
TTD	Inhibitor			ESR2		Successful target
PubChem	AhR Potency (uM)	uM	8.547	AHR	-	GI(Protien) :
PubChem	Potency	uM	20.588	ATAD5	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	6.310	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	0.794	ESR1	-	GI(Protien) :
PubChem	Potency	uM	0.891	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	1.520	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	3.059	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	4.322	ESR1	-	GI(Protien) :
PubChem	None	uM		MRGPRX1	-	GI(Protien) :
PubChem	Potency	uM	27.306	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	42.163	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	9.200	NPC1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	44.668	NR1I2	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	None	uM		PIM2	-	GI(Protien) :
PubChem	Potency	uM	10.000	RAB9A	-	GI(Protien) :
PubChem	IC50	uM	91.260	RACGAP1	-	GI(Protien) :
PubChem	Potency	uM	12.589	SMN2	-	GI(Protien) :
PubChem	Potency	uM	15.849	SMN2	-	GI(Protien) :
PubChem	Potency	uM	28.184	SMN2	-	GI(Protien) :
PubChem	Potency	uM	10.000	TP53	-	GI(Protien) :
ChEMBL	Potency	nM	20587.800	ATAD5	-	Target : CHEMBL1741209
ChEMBL	AC50	nM	15848.900	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	10000.000	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	10000.000	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	6309.600	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	6309.570	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	15848.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	15848.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	Activity	-		ESR1	-	Target : CHEMBL206
ChEMBL	Activity	-		ESR1	-	Target : CHEMBL206
ChEMBL	Activity	-		ESR1	-	Target : CHEMBL206
ChEMBL	Potency	nM	25118.900	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	31622.800	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	31622.800	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	9200.000	NPC1	-	Target : CHEMBL1293277
ChEMBL	Potency	nM	10000.000	RAB9A	-	Target : CHEMBL1293294
ChEMBL	Potency	nM	12589.300	SMN1; SMN2	-	Target : CHEMBL1293232
ChEMBL	Potency	nM	28183.800	SMN1; SMN2	-	Target : CHEMBL1293232
ChEMBL	Potency	nM	15848.900	SMN1; SMN2	-	Target : CHEMBL1293232
ChEMBL	Potency	nM	10000.000	TP53	-	Target : CHEMBL4096

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