Tan Lab | DSigDB

Gene Set: D4 : Boss - 3alpha-hydroxycholanic acid

Collection

D4 : Boss

Chemical Name

3alpha-hydroxycholanic acid ( From PubChem : LITHOCHOLIC ACID )

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
376.573 g/mol	2	3	5.5071	False(3/4)

Structure

InChI

InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1

InChIKey

SMEROWZSTRWXGI-HVATVPOCSA-N

Links

Gene (26 / 47)

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Source	Type	Unit	Value	Gene	PMID	Other
BOSS	Text Mining			ABCB11
BOSS	Text Mining			ABCC2
BOSS	Text Mining			BFAR
BOSS	Text Mining			CDT1
BOSS	Text Mining			CPP
BOSS	Text Mining			CYGB
BOSS	Text Mining			CYP7A1
BOSS	Text Mining			GYPE
BOSS	Text Mining			HEBP1
BOSS	Text Mining			HLP
BOSS	Text Mining			SLC52A2
BOSS	Text Mining			UGT2B11
BOSS	Text Mining			VDR
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	IC50	uM	4.823	CTDSP1	-	GI(Protien) :
PubChem	None	uM		CTDSP1	-	GI(Protien) :
PubChem	None	uM		CTDSP1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM		HSPB1	-	GI(Protien) :
PubChem	Potency	uM	25.119	KAT2A	-	GI(Protien) :
PubChem	Potency	uM	39.811	MAPK1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	18.250	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	19.331	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	20.788	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	26.603	NFE2L2	-	GI(Protien) :
PubChem	None	uM		NLRP3	-	GI(Protien) :
PubChem	None	uM		NLRP3	-	GI(Protien) :
PubChem	None	uM		NLRP3	-	GI(Protien) :
PubChem	None	uM		NLRP3	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	19.418	NR3C1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	43.647	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	21.192	PLK1	-	GI(Protien) :
PubChem	None	uM		SENP8	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	4.347	VDR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	6.140	VDR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	9.771	VDR	-	GI(Protien) :
PubChem	Potency	uM	12.589	VDR	-	GI(Protien) :
ChEMBL	Activity	-		GPBAR1	-	Target : CHEMBL5409
ChEMBL	Potency	nM	25118.900	KAT2A	-	Target : CHEMBL5501
ChEMBL	Potency	nM	39810.700	MAPK1	-	Target : CHEMBL4040
ChEMBL	Activity	-		NR1H4	-	Target : CHEMBL2047
ChEMBL	Activity	-		NR1H4	-	Target : CHEMBL2047
ChEMBL	Activity	-		NR1H4	-	Target : CHEMBL2047
ChEMBL	Activity	-		NR1I2	-	Target : CHEMBL3401
ChEMBL	Activity	-		NR1I2	-	Target : CHEMBL3401
ChEMBL	Activity	-		VDR	-	Target : CHEMBL1977
ChEMBL	Activity	-		VDR	-	Target : CHEMBL1977

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