Tan Lab | DSigDB

Gene Set: D4 : TTD - BIOCHANIN

Collection

D4 : TTD

Chemical Name

BIOCHANIN ( From PubChem : BIOCHANIN A )

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
284.263 g/mol	2	5	2.8798	True

Structure

InChI

InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3

InChIKey

WUADCCWRTIWANL-UHFFFAOYSA-N

Links

Gene (25 / 45)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			CYP19A1		Successful target
TTD	Inhibitor			FASN		Successful target
PubChem	AhR Potency (uM)	uM	5.448	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	8.377	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	9.688	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	9.767	AHR	-	GI(Protien) :
PubChem	Potency	uM	9.960	ATAD5	-	GI(Protien) :
PubChem	Potency	uM	23.109	ATAD5	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	31.623	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	19.953	CYP3A4	-	GI(Protien) :
PubChem	None	uM		DRD5	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.436	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.864	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	6.973	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	13.395	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.804	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	14.905	ESR1	-	GI(Protien) :
PubChem	None	uM		FGF22	-	GI(Protien) :
PubChem	Potency	uM	15.849	MAPK1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	8.635	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	17.369	NFE2L2	-	GI(Protien) :
PubChem	None	uM		NFKB1	-	GI(Protien) :
PubChem	Potency	uM	2.239	NPC1	-	GI(Protien) :
PubChem	None	uM		NR0B1	-	GI(Protien) :
PubChem	None	uM		NR0B1	-	GI(Protien) :
PubChem	None	uM		NR1H4	-	GI(Protien) :
PubChem	None	uM		NR5A1	-	GI(Protien) :
PubChem	None	uM		NR5A1	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :
PubChem	Potency	uM	2.818	RAB9A	-	GI(Protien) :
PubChem	None	uM		RELA	-	GI(Protien) :
PubChem	Potency	uM	17.783	SMN2	-	GI(Protien) :
PubChem	None	uM		STAT1	-	GI(Protien) :
PubChem	None	uM		STAT1	-	GI(Protien) :
PubChem	None	uM		WEE1	-	GI(Protien) :
ChEMBL	Potency	nM	23109.300	ATAD5	-	Target : CHEMBL1741209
ChEMBL	Potency	nM	7943.300	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	31622.800	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	19952.600	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	15848.900	MAPK1	-	Target : CHEMBL4040
ChEMBL	Potency	nM	2238.700	NPC1	-	Target : CHEMBL1293277
ChEMBL	Potency	nM	2818.400	RAB9A	-	Target : CHEMBL1293294
ChEMBL	Potency	nM	17782.800	SMN1; SMN2	-	Target : CHEMBL1293232

Download gene sets

gmt, text, Detailed text