Tan Lab | DSigDB

Gene Set: D4 : CTD - Nisoldipine

Collection

D4 : CTD

Chemical Name

Nisoldipine ( From PubChem : NISOLDIPINE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
388.414 g/mol	1	5	4.0538	True

Structure

InChI

InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3/t18-/m1/s1

InChIKey

VKQFCGNPDRICFG-GOSISDBHSA-N

Links

Gene (36 / 63)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(reaction)			ABCB1		D015737
CTD	increases(transport)			ABCB1		D015737
CTD	decreases(activity)			CYP1A2		D015737
CTD	decreases(expression)			EDN1		D015737
CTD	decreases(reaction)			GSTA3		D015737
CTD	increases(metabolic processing)			GSTA3		D015737
CTD	decreases(reaction)			GSTP1		D015737
CTD	increases(metabolic processing)			GSTP1		D015737
PubChem	None	uM		ABHD5	-	GI(Protien) :
PubChem	None	uM		ABHD5	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	3.857	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	9.439	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM		AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	16.930	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	19.739	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	29.849	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	29.849	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	61.131	AR	-	GI(Protien) :
PubChem	Potency	uM	15.849	CBX1	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	33.492	CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	61.131	CYP19A1	-	GI(Protien) :
PubChem	Potency	uM	11.220	EHMT2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	24.541	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	54.941	ESR1	-	GI(Protien) :
PubChem	Potency	uM	26.609	GMNN	-	GI(Protien) :
PubChem	None	uM		HNF4A	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	24.541	HSPB1	-	GI(Protien) :
PubChem	Potency	uM	16.360	IDH1	-	GI(Protien) :
PubChem	None	uM		IL1B	-	GI(Protien) :
PubChem	None	uM		KCNH2	-	GI(Protien) :
PubChem	None	uM		KCNH2	-	GI(Protien) :
PubChem	None	uM		KCNQ1	-	GI(Protien) :
PubChem	None	uM		MDM2	-	GI(Protien) :
PubChem	None	uM		MDM2	-	GI(Protien) :
PubChem	None	uM		MDM4	-	GI(Protien) :
PubChem	None	uM		MDM4	-	GI(Protien) :
PubChem	AC50_uM	uM	17.980	MLLT3	-	GI(Protien) :
PubChem	None	uM		MLLT3	-	GI(Protien) :
PubChem	None	uM		MRGPRX1	-	GI(Protien) :
PubChem	Potency	uM	16.360	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	23.708	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	24.541	NR3C1	-	GI(Protien) :
PubChem	None	uM		PLIN5	-	GI(Protien) :
PubChem	None	uM		PLIN5	-	GI(Protien) :
PubChem	Potency	uM	18.888	PLK1	-	GI(Protien) :
PubChem	None	uM		PRMT1	-	GI(Protien) :
PubChem	Potency	uM	17.783	SMAD3	-	GI(Protien) :
PubChem	Potency	uM	5.173	TDP1	-	GI(Protien) :
PubChem	Potency	uM	6.513	TDP1	-	GI(Protien) :
PubChem	Potency	uM	8.414	TDP1	-	GI(Protien) :
PubChem	Potency	uM	8.414	TDP1	-	GI(Protien) :
PubChem	Potency	uM	5.623	VDR	-	GI(Protien) :
PubChem	Potency	uM	8.912	VDR	-	GI(Protien) :
PubChem	Potency	uM	14.125	VDR	-	GI(Protien) :
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	11220.200	EHMT2	-	Target : CHEMBL6032

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