Tan Lab | DSigDB

Gene Set: D4 : TTD - CONTIGOSIDE B

Collection

D4 : TTD

Chemical Name

CONTIGOSIDE B ( From PubChem : ISOQUERCITRIN )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
464.376 g/mol	8	12	-0.5389	False(2/4)

Structure

InChI

InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1

InChIKey

OVSQVDMCBVZWGM-QSOFNFLRSA-N

Links

Gene (14 / 24)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ACE		Successful target
TTD	Inhibitor			ACE		Successful target
TTD	Inhibitor			AKR1B1		Successful target
PubChem	IC50_Mean	uM	5.250	ALPI	-	GI(Protien) :
PubChem	IC50_Mean	uM	8.960	ALPI	-	GI(Protien) :
PubChem	None	uM		ALPI	-	GI(Protien) :
PubChem	None	uM		ALPI	-	GI(Protien) :
PubChem	IC50_Mean	uM	14.000	ALPL	-	GI(Protien) :
PubChem	None	uM		DLD	-	GI(Protien) :
PubChem	Potency	uM	8.912	EHMT2	-	GI(Protien) :
PubChem	None	uM		EZH2	-	GI(Protien) :
PubChem	Potency	uM	3.548	GAA	-	GI(Protien) :
PubChem	EC50_uM	uM	15.800	GSK3B	-	GI(Protien) :
PubChem	None	uM		MDM2	-	GI(Protien) :
PubChem	None	uM		MDM4	-	GI(Protien) :
PubChem	IC50	uM		MPI	-	GI(Protien) :
PubChem	Potency	uM	1.778	POLB	-	GI(Protien) :
ChEMBL	IC50	nM	5250.000	ALPI	-	Target : CHEMBL5573
ChEMBL	IC50	nM	8960.000	ALPI	-	Target : CHEMBL5573
ChEMBL	IC50	nM	14000.000	ALPL	-	Target : CHEMBL5979
ChEMBL	Potency	nM	8912.500	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	3548.100	GAA	-	Target : CHEMBL2608
ChEMBL	Potency	nM	12589.300	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	1778.300	POLB	-	Target : CHEMBL2392

Download gene sets

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