Tan Lab | DSigDB

Gene Set: D4 : TTD - EMODIN

Collection

D4 : TTD

Chemical Name

EMODIN ( From PubChem : EMODIN )

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
270.237 g/mol	3	5	1.8872	True

Structure

InChI

InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3

InChIKey

RHMXXJGYXNZAPX-UHFFFAOYSA-N

Links

Gene (36 / 84)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			CSNK2A1		Clinical trial target
TTD	Inhibitor			CSNK2A1		Clinical trial target
PubChem	Potency-Replicate_1	uM	5.974	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	8.438	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	14.221	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	34.376	AHR	-	GI(Protien) :
PubChem	Potency	uM	44.668	AHR	-	GI(Protien) :
PubChem	Potency	uM	12.589	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	14.125	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	22.387	ALDH1A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	26.918	AR	-	GI(Protien) :
PubChem	None	uM		CASP3	-	GI(Protien) :
PubChem	Potency	uM	22.387	CBX1	-	GI(Protien) :
PubChem	Potency	uM	66.824	CXCL8	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	23.782	CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	54.483	CYP19A1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	31.623	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	1.683	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	8.912	EHMT2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	1.723	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	5.324	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	6.026	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	7.592	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	7.762	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	10.965	ESR1	-	GI(Protien) :
PubChem	Potency	uM	15.003	FEN1	-	GI(Protien) :
PubChem	Potency	uM	39.811	FEN1	-	GI(Protien) :
PubChem	None	uM		KCNQ1	-	GI(Protien) :
PubChem	Potency	uM	8.912	MAPT	-	GI(Protien) :
PubChem	Potency	uM	10.000	MAPT	-	GI(Protien) :
PubChem	None	uM		MAPT	-	GI(Protien) :
PubChem	Potency	uM	10.621	MPHOSPH8	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	4.229	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	9.688	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	10.461	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	18.834	NFE2L2	-	GI(Protien) :
PubChem	None	uM		NR1H4	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	None	uM		PIM1	-	GI(Protien) :
PubChem	None	uM		PIM2	-	GI(Protien) :
PubChem	None	uM		PLA2G7	-	GI(Protien) :
PubChem	Potency	uM	11.220	POLB	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :
PubChem	None	uM		SENP6	-	GI(Protien) :
PubChem	None	uM		SENP6	-	GI(Protien) :
PubChem	None	uM		SENP7	-	GI(Protien) :
PubChem	None	uM		SENP7	-	GI(Protien) :
PubChem	None	uM		SENP8	-	GI(Protien) :
PubChem	None	uM		SENP8	-	GI(Protien) :
PubChem	None	uM		SENP8	-	GI(Protien) :
PubChem	Potency	uM	18.356	TDP1	-	GI(Protien) :
PubChem	Potency	uM	21.136	TDP1	-	GI(Protien) :
PubChem	Potency	uM	12.589	THPO	-	GI(Protien) :
ChEMBL	Potency	nM	12589.300	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	22387.200	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	14125.400	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	35481.300	APEX1	-	Target : CHEMBL5619
ChEMBL	Potency	nM	22387.200	CBX1	-	Target : CHEMBL1741193
ChEMBL	Potency	nM	7943.300	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	3981.100	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	7943.300	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	31622.800	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	12589.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	10000.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	8912.500	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	1683.400	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	15003.000	FEN1	-	Target : CHEMBL5027
ChEMBL	Potency	nM	44668.400	KDM4A	-	Target : CHEMBL5896
ChEMBL	Potency	nM	8912.500	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	15848.900	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	14125.400	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	10000.000	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	10621.300	MPHOSPH8	-	Target : CHEMBL1741210
ChEMBL	Inhibition	-		PIK3CA	-	Target : CHEMBL4005
ChEMBL	Inhibition	-		PIK3CA	-	Target : CHEMBL4005
ChEMBL	Potency	nM	11220.200	POLB	-	Target : CHEMBL2392
ChEMBL	Inhibition	-		PTP4A3	-	Target : CHEMBL4162
ChEMBL	Potency	nM	12589.300	THPO	-	Target : CHEMBL1293256

Download gene sets

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