Tan Lab | DSigDB

Gene Set: D4 : TTD - indirubin-3-oxime

Collection

D4 : TTD

Chemical Name

indirubin-3-oxime ( From PubChem : INDIRUBIN-3'-MONOXIME )

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
277.277 g/mol	3	4	0.8364	True

Structure

InChI

InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,19,21H

InChIKey

LDEWQRSYYHTQRA-UHFFFAOYSA-N

Links

Gene (32 / 69)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			AURKA		Clinical trial target
TTD	Inhibitor			AURKB		Research target
TTD	Inhibitor			AURKC		Clinical trial target
TTD	Inhibitor			CDK2		Clinical trial target
TTD	Inhibitor			CDK2		Clinical trial target
TTD	Inhibitor			CDK5		Research target
TTD	Inhibitor			CDK5		Research target
TTD	Inhibitor			GSK3B		Clinical trial target
PubChem	Potency	uM	10.691	ARSA	-	GI(Protien) :
PubChem	Potency	uM	25.119	ATXN2	-	GI(Protien) :
PubChem	Potency	uM	3.981	CBX1	-	GI(Protien) :
PubChem	None	uM		CLK3	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	6.310	CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	31.623	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	8.912	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	11.220	GLS	-	GI(Protien) :
PubChem	Potency	uM	0.631	HTT	-	GI(Protien) :
PubChem	Potency	uM	1.413	HTT	-	GI(Protien) :
PubChem	None	uM		HTT	-	GI(Protien) :
PubChem	None	uM		MAP3K5	-	GI(Protien) :
PubChem	Potency	uM	10.000	MAPK1	-	GI(Protien) :
PubChem	Potency	uM	0.562	MAPT	-	GI(Protien) :
PubChem	Potency	uM	0.708	MAPT	-	GI(Protien) :
PubChem	Potency	uM	1.585	MAPT	-	GI(Protien) :
PubChem	Potency	uM	2.818	MAPT	-	GI(Protien) :
PubChem	None	uM		MAPT	-	GI(Protien) :
PubChem	Potency	uM	6.310	MPHOSPH8	-	GI(Protien) :
PubChem	Potency	uM	7.519	MPHOSPH8	-	GI(Protien) :
PubChem	Potency	uM	4.611	NPC1	-	GI(Protien) :
PubChem	None	uM		PAK6	-	GI(Protien) :
PubChem	None	uM		PAK7	-	GI(Protien) :
PubChem	Potency	uM	10.322	PARK2	-	GI(Protien) :
PubChem	Potency	uM	12.589	PKM	-	GI(Protien) :
PubChem	None	uM		SLK	-	GI(Protien) :
PubChem	Potency	uM	12.589	SMN2	-	GI(Protien) :
PubChem	Potency	uM	14.125	SMN2	-	GI(Protien) :
PubChem	None	uM		STK16	-	GI(Protien) :
PubChem	Potency	uM	25.119	TP53	-	GI(Protien) :
PubChem	Potency	uM	25.119	TP53	-	GI(Protien) :
PubChem	Potency	uM	0.772	YES1		GI(Protien) :
ChEMBL	Potency	nM	3981.100	CBX1	-	Target : CHEMBL1741193
ChEMBL	AC50	nM	31.620	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	6309.600	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	31622.800	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	7943.280	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	7943.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	8912.500	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	1412.500	HTT	-	Target : CHEMBL5514
ChEMBL	Potency	nM	631.000	HTT	-	Target : CHEMBL5514
ChEMBL	Potency	nM	10000.000	MAPK1	-	Target : CHEMBL4040
ChEMBL	Potency	nM	15848.900	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	10000.000	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	3548.100	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	2818.400	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	1584.900	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	562.300	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	707.900	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	6309.600	MPHOSPH8	-	Target : CHEMBL1741210
ChEMBL	Potency	nM	7519.300	MPHOSPH8	-	Target : CHEMBL1741210
ChEMBL	Potency	nM	4610.900	NPC1	-	Target : CHEMBL1293277
ChEMBL	Potency	nM	12589.300	PKM	-	Target : CHEMBL1075189
ChEMBL	Potency	nM	14125.400	SMN1; SMN2	-	Target : CHEMBL1293232
ChEMBL	Potency	nM	12589.300	SMN1; SMN2	-	Target : CHEMBL1293232
ChEMBL	Potency	nM	25118.900	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	25118.900	TP53	-	Target : CHEMBL4096

Download gene sets

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