acompound

Showing entry for Lipoic Acid

General Compound Information
BXGC Id	BXGC0021478
Compound Name	Lipoic Acid
Structure
Formula	C8H14O2S2
InchiKey	AGBQKNBQESQNJD-SSDOTTSWSA-N
SMILES	OC(=O)CCCC[C@H]1SSCC1
Inchi	InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1
IUPAC	5-[(3R)-dithiolan-3-yl]pentanoic acid
Molecular Weight	206.04
Pubchem Id	6112
Chembl Id	CHEMBL134342

Targets of Information Source

DrugBank

DB00166

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Q9Y234	BXGT022211	Lipoyltransferase 1, mitochondrial	reviewed	Enzyme	LIPT1	approved; investigational; nutraceutical	-
O43766	BXGT004622	Lipoyl synthase, mitochondrial	reviewed	-	LIAS	approved; investigational; nutraceutical	-
Q9Y289	BXGT022226	Sodium-dependent multivitamin transporter	reviewed	Transporter	SLC5A6	approved; investigational; nutraceutical	-

PDB

LPA

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
P16048	BXGT008182	Glycine cleavage system H protein, mitochondrial	reviewed	GDCSH	-	-	-	-	-
P32099	BXGT009599	Lipoate-protein ligase A	reviewed	lplA	-	-	-	-	-
Q9HKT1	BXGT020571	Lipoate-protein ligase A subunit 1	reviewed	lplA	-	-	-	-	-
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	AKR1B1	Enzyme	25500	-	-	-
Q830N7	BXGT017440	Lipoate--protein ligase	unreviewed	lplA-2	-	-	-	-	-
Q838C1	BXGT017480	Lipoate--protein ligase	unreviewed	lplA-1	-	-	-	-	-
Q8IEG9	BXGT018262	Lipoate-protein ligase 1	unreviewed	PF3D7_1314600	-	-	-	-	-

Binding DB

50106731

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT005128	Nuclear receptor subfamily 1 group I member 2	reviewed	Nuclear receptor	NR1I2	-	-	-	2800
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	1	-	-
reviewed	BXGT008930	Alpha-1D adrenergic receptor	reviewed		Adra1d	-	-	>10000	-
reviewed	BXGT010360	Alpha-1A adrenergic receptor	reviewed		Adra1a	-	-	>10000	-
reviewed	BXGT008160	Alpha-1B adrenergic receptor	reviewed		Adra1b	-	-	>10000	-

CHEMBL

CHEMBL134342

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P50406	BXGT010796	5-hydroxytryptamine receptor 6	reviewed	G-protein coupled receptor	HTR6	Ki	-	-	-
P25103	BXGT009020	Substance-P receptor	reviewed	G-protein coupled receptor	TACR1	Ki	-	-	-
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	-	-	-
P15823	BXGT008160	Alpha-1B adrenergic receptor	reviewed	-	Adra1b	IC50	-	-	-
P06276	BXGT006430	Cholinesterase	reviewed	-	BCHE	IC50	'>'	1000000	nM
P21728	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	Ki	-	-	-
P32245	BXGT009614	Melanocortin receptor 4	reviewed	G-protein coupled receptor	MC4R	Ki	-	-	-
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	IC50	-	-	-
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	Inhibition	'='	95	%
P18089	BXGT008379	Alpha-2B adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2B	Ki	-	-	-
P18825	BXGT008426	Alpha-2C adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2C	IC50	-	-	-
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	891	nM
P0DMS8	BXGT007506	Adenosine receptor A3	reviewed	G-protein coupled receptor	ADORA3	IC50	-	-	-
P17948	BXGT008358	Vascular endothelial growth factor receptor 1	reviewed	Kinase	FLT1	IC50	-	-	-
P32241	BXGT009613	Vasoactive intestinal polypeptide receptor 1	reviewed	G-protein coupled receptor	VIPR1	IC50	-	-	-
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	Ki	-	-	-
P31645	BXGT009558	Sodium-dependent serotonin transporter	reviewed	Transporter	SLC6A4	Ki	-	-	-
P37288	BXGT009977	Vasopressin V1a receptor	reviewed	G-protein coupled receptor	AVPR1A	Ki	-	-	-
O95342	BXGT005373	Bile salt export pump	reviewed	Transporter	ABCB11	IC50	'>'	1000000	nM
P15823	BXGT008160	Alpha-1B adrenergic receptor	reviewed	-	Adra1b	Kd	'>'	10000	nM
P41597	BXGT010268	C-C chemokine receptor type 2	reviewed	-	CCR2	Ki	-	-	-
P50406	BXGT010796	5-hydroxytryptamine receptor 6	reviewed	G-protein coupled receptor	HTR6	IC50	-	-	-
P24557	BXGT008976	Thromboxane-A synthase	reviewed	-	TBXAS1	IC50	-	-	-
P25021	BXGT009004	Histamine H2 receptor	reviewed	G-protein coupled receptor	HRH2	IC50	-	-	-
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	Ki	-	-	-
P30411	BXGT009424	B2 bradykinin receptor	reviewed	G-protein coupled receptor	BDKRB2	IC50	-	-	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	IC50	-	-	-
P25101	BXGT009018	Endothelin-1 receptor	reviewed	G-protein coupled receptor	EDNRA	Ki	-	-	-
P08588	BXGT006795	Beta-1 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB1	Ki	-	-	-
P50052	BXGT010768	Type-2 angiotensin II receptor	reviewed	G-protein coupled receptor	AGTR2	Ki	-	-	-
P41597	BXGT010268	C-C chemokine receptor type 2	reviewed	-	CCR2	IC50	-	-	-
P51681	BXGT010878	C-C chemokine receptor type 5	reviewed	G-protein coupled receptor	CCR5	Ki	-	-	-
P35462	BXGT009835	D(3) dopamine receptor	reviewed	G-protein coupled receptor	DRD3	IC50	-	-	-
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Ki	-	-	-
P08913	BXGT006841	Alpha-2A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2A	IC50	-	-	-
P35367	BXGT009821	Histamine H1 receptor	reviewed	G-protein coupled receptor	HRH1	IC50	-	-	-
P04035	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	-	HMGCR	Ki	-	-	-
Q9Y271	BXGT022222	Cysteinyl leukotriene receptor 1	reviewed	G-protein coupled receptor	CYSLTR1	IC50	-	-	-
P14780	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	IC50	-	-	-
P08246	BXGT006756	Neutrophil elastase	reviewed	Enzyme	ELANE	IC50	-	-	-
P06241	BXGT006429	Tyrosine-protein kinase Fyn	reviewed	Kinase	FYN	IC50	-	-	-
P04626	BXGT006238	Receptor tyrosine-protein kinase erbB-2	reviewed	Kinase	ERBB2	Ki	-	-	-
P28223	BXGT009239	5-hydroxytryptamine receptor 2A	reviewed	G-protein coupled receptor	HTR2A	Ki	-	-	-
P28335	BXGT009255	5-hydroxytryptamine receptor 2C	reviewed	G-protein coupled receptor	HTR2C	IC50	-	-	-
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	IC50	'='	0	nM
P54132	BXGT011032	Bloom syndrome protein	reviewed	-	BLM	Potency	'='	7943	nM
P35348	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	Log Ki	-	-	-
P43140	BXGT010360	Alpha-1A adrenergic receptor	reviewed	-	Adra1a	Ki	-	-	-
P41143	BXGT010223	Delta-type opioid receptor	reviewed	G-protein coupled receptor	OPRD1	IC50	-	-	-
P27361	BXGT009176	Mitogen-activated protein kinase 3	reviewed	Kinase	MAPK3	IC50	-	-	-
P06239	BXGT006427	Tyrosine-protein kinase Lck	reviewed	Kinase	LCK	IC50	-	-	-
P28223	BXGT009239	5-hydroxytryptamine receptor 2A	reviewed	G-protein coupled receptor	HTR2A	IC50	-	-	-
P28335	BXGT009255	5-hydroxytryptamine receptor 2C	reviewed	G-protein coupled receptor	HTR2C	Ki	-	-	-
O70528	BXGT005068	5-hydroxytryptamine receptor 4	reviewed	-	HTR4	Ki	-	-	-
P20781	BXGT008598	Glycine receptor subunit beta	reviewed	-	Glrb	IC50	-	-	-
P07727	BXGT006662	Glycine receptor subunit alpha-1	reviewed	-	Glra1	IC50	-	-	-
P24524	BXGT008974	Glycine receptor subunit alpha-3	reviewed	-	Glra3	IC50	-	-	-
P22771	BXGT008806	Glycine receptor subunit alpha-2	reviewed	-	Glra2	IC50	-	-	-
P11229	BXGT007676	Muscarinic acetylcholine receptor M1	reviewed	G-protein coupled receptor	CHRM1	Ki	-	-	-
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	354	nM
Q99549	BXGT019932	M-phase phosphoprotein 8	reviewed	Epigenetic regulator	MPHOSPH8	Potency	-	50118	nM
P25024	BXGT009005	C-X-C chemokine receptor type 1	reviewed	G-protein coupled receptor	CXCR1	IC50	-	-	-
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	Ki	-	-	-
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	IC50	-	-	-
P32245	BXGT009614	Melanocortin receptor 4	reviewed	G-protein coupled receptor	MC4R	IC50	-	-	-
O76074	BXGT005174	cGMP-specific 3',5'-cyclic phosphodiesterase	reviewed	-	PDE5A	Ki	-	-	-
P12822	BXGT007850	Angiotensin-converting enzyme	reviewed	-	ACE	Ki	-	-	-
P03956	BXGT006120	Interstitial collagenase	reviewed	Enzyme	MMP1	IC50	-	-	-
P35368	BXGT009822	Alpha-1B adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1B	Log Ki	-	-	-
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	89125	nM
P25103	BXGT009020	Substance-P receptor	reviewed	G-protein coupled receptor	TACR1	IC50	-	-	-
P14416	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	IC50	-	-	-
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	'='	63095	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	891	nM
Q690N0	BXGT016199	Progesterone receptor	unreviewed	-	PGR	Ki	-	-	-
P17252	BXGT008294	Protein kinase C alpha type	reviewed	Kinase	PRKCA	IC50	-	-	-
P08575	BXGT006793	Receptor-type tyrosine-protein phosphatase C	reviewed	Enzyme	PTPRC	Ki	-	-	-
P28564	BXGT009272	5-hydroxytryptamine receptor 1B	reviewed	-	Htr1b	Ki	-	-	-
P14780	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	Ki	-	-	-
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	Ki	-	-	-
P04150	BXGT006154	Glucocorticoid receptor	reviewed	Nuclear receptor	NR3C1	IC50	-	-	-
P41143	BXGT010223	Delta-type opioid receptor	reviewed	G-protein coupled receptor	OPRD1	Ki	-	-	-
Q12809	BXGT013267	Potassium voltage-gated channel subfamily H member 2	reviewed	Ion channel	KCNH2	IC50	-	-	-
Q690N0	BXGT016199	Progesterone receptor	unreviewed	-	PGR	IC50	-	-	-
P32241	BXGT009613	Vasoactive intestinal polypeptide receptor 1	reviewed	G-protein coupled receptor	VIPR1	Ki	-	-	-
P29274	BXGT009327	Adenosine receptor A2a	reviewed	G-protein coupled receptor	ADORA2A	IC50	-	-	-
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	Ki	-	-	-
P08912	BXGT006840	Muscarinic acetylcholine receptor M5	reviewed	G-protein coupled receptor	CHRM5	IC50	-	-	-
P17252	BXGT008294	Protein kinase C alpha type	reviewed	Kinase	PRKCA	Ki	-	-	-
P04626	BXGT006238	Receptor tyrosine-protein kinase erbB-2	reviewed	Kinase	ERBB2	IC50	-	-	-
P25100	BXGT009017	Alpha-1D adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1D	IC50	-	-	-
P25100	BXGT009017	Alpha-1D adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1D	Ki	-	-	-
P30988	BXGT009491	Calcitonin receptor	reviewed	G-protein coupled receptor	CALCR	IC50	-	-	-
P51679	BXGT010877	C-C chemokine receptor type 4	reviewed	G-protein coupled receptor	CCR4	IC50	-	-	-
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	IC50	-	-	-
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Ki	-	-	-
P14416	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	Ki	-	-	-
P35462	BXGT009835	D(3) dopamine receptor	reviewed	G-protein coupled receptor	DRD3	Ki	-	-	-
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	35481	nM
P18825	BXGT008426	Alpha-2C adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2C	Ki	-	-	-
P21554	BXGT008662	Cannabinoid receptor 1	reviewed	G-protein coupled receptor	CNR1	Ki	-	-	-
P32238	BXGT009611	Cholecystokinin receptor type A	reviewed	G-protein coupled receptor	CCKAR	IC50	-	-	-
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Ki	-	-	-
P21917	BXGT008707	D(4) dopamine receptor	reviewed	G-protein coupled receptor	DRD4	IC50	-	-	-
Q01959	BXGT012624	Sodium-dependent dopamine transporter	reviewed	Transporter	SLC6A3	Ki	-	-	-
P25101	BXGT009018	Endothelin-1 receptor	reviewed	G-protein coupled receptor	EDNRA	IC50	-	-	-
P07550	BXGT006636	Beta-2 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB2	Ki	-	-	-
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	-	-	-
P30988	BXGT009491	Calcitonin receptor	reviewed	G-protein coupled receptor	CALCR	Ki	-	-	-
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	-	-	-
P25025	BXGT009006	C-X-C chemokine receptor type 2	reviewed	G-protein coupled receptor	CXCR2	Ki	-	-	-
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	Ki	-	-	-
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	IC50	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Ki	-	-	-
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	IC50	-	-	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Ki	-	-	-
P15127	BXGT008085	Insulin receptor	reviewed	-	Insr	IC50	-	-	-
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	-	-	-
P0DMS8	BXGT007506	Adenosine receptor A3	reviewed	G-protein coupled receptor	ADORA3	Ki	-	-	-
P0A6C1	BXGT007045	Endonuclease 4	reviewed	-	nfo	Potency	'='	891	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'>'	1000000	nM
P17948	BXGT008358	Vascular endothelial growth factor receptor 1	reviewed	Kinase	FLT1	Ki	-	-	-
P37288	BXGT009977	Vasopressin V1a receptor	reviewed	G-protein coupled receptor	AVPR1A	IC50	-	-	-
P15207	BXGT008096	Androgen receptor	reviewed	-	Ar	Ki	-	-	-
P25025	BXGT009006	C-X-C chemokine receptor type 2	reviewed	G-protein coupled receptor	CXCR2	IC50	-	-	-
P05181	BXGT006337	Cytochrome P450 2E1	reviewed	-	CYP2E1	IC50	-	-	-
P31645	BXGT009558	Sodium-dependent serotonin transporter	reviewed	Transporter	SLC6A4	IC50	-	-	-
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	IC50	-	-	-
P32238	BXGT009611	Cholecystokinin receptor type A	reviewed	G-protein coupled receptor	CCKAR	Ki	-	-	-
O70528	BXGT005068	5-hydroxytryptamine receptor 4	reviewed	-	HTR4	IC50	-	-	-
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Activity	'<'	5	%
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'<'	30	%
Q9Y253	BXGT022216	DNA polymerase eta	reviewed	-	POLH	Potency	-	251	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	1	nM
P25100	BXGT009017	Alpha-1D adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1D	Log Ki	-	-	-
P41145	BXGT010225	Kappa-type opioid receptor	reviewed	G-protein coupled receptor	OPRK1	IC50	-	-	-
P06239	BXGT006427	Tyrosine-protein kinase Lck	reviewed	Kinase	LCK	Ki	-	-	-
P41595	BXGT010267	5-hydroxytryptamine receptor 2B	reviewed	G-protein coupled receptor	HTR2B	IC50	-	-	-
O15648	BXGT004185	ATP-dependent 6-phosphofructokinase	reviewed	-	pfk	Potency	-	15101	nM
P04035	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	-	HMGCR	IC50	-	-	-
P15127	BXGT008085	Insulin receptor	reviewed	-	Insr	Ki	-	-	-
A6XA80	BXGT001522	Leukotriene C4 synthase	reviewed	-	LTC4S	IC50	-	-	-
P12530	BXGT007827	Arachidonate 15-lipoxygenase	reviewed	-	ALOX15	IC50	-	-	-
P12530	BXGT007827	Arachidonate 15-lipoxygenase	reviewed	-	ALOX15	Ki	-	-	-
P25929	BXGT009078	Neuropeptide Y receptor type 1	reviewed	G-protein coupled receptor	NPY1R	IC50	-	-	-
P25929	BXGT009078	Neuropeptide Y receptor type 1	reviewed	G-protein coupled receptor	NPY1R	Ki	-	-	-
P49146	BXGT010681	Neuropeptide Y receptor type 2	reviewed	G-protein coupled receptor	NPY2R	IC50	-	-	-
P25105	BXGT009021	Platelet-activating factor receptor	reviewed	G-protein coupled receptor	PTAFR	IC50	-	-	-
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	129	%
P11166	BXGT007661	Solute carrier family 2, facilitated glucose transporter member 1	reviewed	Transporter	SLC2A1	Activity	-	-	-
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	-	-	-
P43140	BXGT010360	Alpha-1A adrenergic receptor	reviewed	-	Adra1a	Kd	'>'	10000	nM
P23944	BXGT008930	Alpha-1D adrenergic receptor	reviewed	-	Adra1d	Kd	'>'	10000	nM
P08170	BXGT006736	Seed linoleate 13S-lipoxygenase-1	reviewed	-	LOX1.1	Inhibition	'='	29	%
Q01453	BXGT012588	Peripheral myelin protein 22	reviewed	Cellular structure	PMP22	Potency	'='	33807	nM
P49146	BXGT010681	Neuropeptide Y receptor type 2	reviewed	G-protein coupled receptor	NPY2R	Ki	-	-	-
O75469	BXGT005128	Nuclear receptor subfamily 1 group I member 2	reviewed	Nuclear receptor	NR1I2	Activity	-	-	-
P29475	BXGT009353	Nitric oxide synthase, brain	reviewed	-	NOS1	IC50	-	-	-
P43140	BXGT010360	Alpha-1A adrenergic receptor	reviewed	-	Adra1a	IC50	-	-	-
Q08209	BXGT012968	Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform	reviewed	-	PPP3CA	Ki	-	-	-
Q08209	BXGT012968	Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform	reviewed	-	PPP3CA	IC50	-	-	-
P21452	BXGT008653	Substance-K receptor	reviewed	G-protein coupled receptor	TACR2	Ki	-	-	-
P33032	BXGT009689	Melanocortin receptor 5	reviewed	G-protein coupled receptor	MC5R	IC50	-	-	-
P08173	BXGT006738	Muscarinic acetylcholine receptor M4	reviewed	G-protein coupled receptor	CHRM4	IC50	-	-	-
P08173	BXGT006738	Muscarinic acetylcholine receptor M4	reviewed	G-protein coupled receptor	CHRM4	Ki	-	-	-
P29476	BXGT009354	Nitric oxide synthase, brain	reviewed	-	Nos1	Ki	-	-	-
P30542	BXGT009436	Adenosine receptor A1	reviewed	G-protein coupled receptor	ADORA1	Ki	-	-	-
A6XA80	BXGT001522	Leukotriene C4 synthase	reviewed	-	LTC4S	Ki	-	-	-
P41968	BXGT010275	Melanocortin receptor 3	reviewed	G-protein coupled receptor	MC3R	Ki	-	-	-
P07550	BXGT006636	Beta-2 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB2	IC50	-	-	-
P13945	BXGT007972	Beta-3 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB3	IC50	-	-	-
P50052	BXGT010768	Type-2 angiotensin II receptor	reviewed	G-protein coupled receptor	AGTR2	IC50	-	-	-
P51681	BXGT010878	C-C chemokine receptor type 5	reviewed	G-protein coupled receptor	CCR5	IC50	-	-	-
P20309	BXGT008562	Muscarinic acetylcholine receptor M3	reviewed	G-protein coupled receptor	CHRM3	IC50	-	-	-
P20309	BXGT008562	Muscarinic acetylcholine receptor M3	reviewed	G-protein coupled receptor	CHRM3	Ki	-	-	-
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Ki	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	IC50	-	-	-
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Ki	-	-	-
P21917	BXGT008707	D(4) dopamine receptor	reviewed	G-protein coupled receptor	DRD4	Ki	-	-	-
P21452	BXGT008653	Substance-K receptor	reviewed	G-protein coupled receptor	TACR2	IC50	-	-	-
P08913	BXGT006841	Alpha-2A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2A	Ki	-	-	-
P10828	BXGT007624	Thyroid hormone receptor beta	reviewed	Nuclear receptor	THRB	Potency	'='	891	nM
P20781	BXGT008598	Glycine receptor subunit beta	reviewed	-	Glrb	Ki	-	-	-
P07727	BXGT006662	Glycine receptor subunit alpha-1	reviewed	-	Glra1	Ki	-	-	-
P24524	BXGT008974	Glycine receptor subunit alpha-3	reviewed	-	Glra3	Ki	-	-	-
P22771	BXGT008806	Glycine receptor subunit alpha-2	reviewed	-	Glra2	Ki	-	-	-
P33032	BXGT009689	Melanocortin receptor 5	reviewed	G-protein coupled receptor	MC5R	Ki	-	-	-
P35372	BXGT009823	Mu-type opioid receptor	reviewed	G-protein coupled receptor	OPRM1	IC50	-	-	-
P29466	BXGT009349	Caspase-1	reviewed	Enzyme	CASP1	Ki	-	-	-
P00533	BXGT005575	Epidermal growth factor receptor	reviewed	Kinase	EGFR	IC50	-	-	-
Q9Y271	BXGT022222	Cysteinyl leukotriene receptor 1	reviewed	G-protein coupled receptor	CYSLTR1	Ki	-	-	-
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	IC50	-	-	-
P35372	BXGT009823	Mu-type opioid receptor	reviewed	G-protein coupled receptor	OPRM1	Ki	-	-	-
P18089	BXGT008379	Alpha-2B adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2B	IC50	-	-	-
P05181	BXGT006337	Cytochrome P450 2E1	reviewed	-	CYP2E1	Ki	-	-	-
P21728	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	IC50	-	-	-
Q01959	BXGT012624	Sodium-dependent dopamine transporter	reviewed	Transporter	SLC6A3	IC50	-	-	-
O62664	BXGT004924	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	IC50	-	-	-
P08575	BXGT006793	Receptor-type tyrosine-protein phosphatase C	reviewed	Enzyme	PTPRC	IC50	-	-	-
P28564	BXGT009272	5-hydroxytryptamine receptor 1B	reviewed	-	Htr1b	IC50	-	-	-
Q9R1A7	BXGT021413	Nuclear receptor subfamily 1 group I member 2	reviewed	-	Nr1i2	Activity	-	-	-
P15207	BXGT008096	Androgen receptor	reviewed	-	Ar	IC50	-	-	-
P25021	BXGT009004	Histamine H2 receptor	reviewed	G-protein coupled receptor	HRH2	Ki	-	-	-
P12822	BXGT007850	Angiotensin-converting enzyme	reviewed	-	ACE	IC50	-	-	-
P03956	BXGT006120	Interstitial collagenase	reviewed	Enzyme	MMP1	Ki	-	-	-
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	IC50	-	-	-
P30542	BXGT009436	Adenosine receptor A1	reviewed	G-protein coupled receptor	ADORA1	IC50	-	-	-
P29274	BXGT009327	Adenosine receptor A2a	reviewed	G-protein coupled receptor	ADORA2A	Ki	-	-	-
P24557	BXGT008976	Thromboxane-A synthase	reviewed	-	TBXAS1	Ki	-	-	-
P23975	BXGT008935	Sodium-dependent noradrenaline transporter	reviewed	Transporter	SLC6A2	IC50	-	-	-
P15823	BXGT008160	Alpha-1B adrenergic receptor	reviewed	-	Adra1b	Ki	-	-	-
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	IC50	-	-	-
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	37685	nM
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	IC50	-	-	-
P08588	BXGT006795	Beta-1 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB1	IC50	-	-	-
P23975	BXGT008935	Sodium-dependent noradrenaline transporter	reviewed	Transporter	SLC6A2	Ki	-	-	-
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	Ki	-	-	-
P21554	BXGT008662	Cannabinoid receptor 1	reviewed	G-protein coupled receptor	CNR1	IC50	-	-	-
P25024	BXGT009005	C-X-C chemokine receptor type 1	reviewed	G-protein coupled receptor	CXCR1	Ki	-	-	-
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Ki	-	-	-
P08311	BXGT006762	Cathepsin G	reviewed	Enzyme	CTSG	Ki	-	-	-
P00533	BXGT005575	Epidermal growth factor receptor	reviewed	Kinase	EGFR	Ki	-	-	-
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	103	%
P13945	BXGT007972	Beta-3 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB3	Ki	-	-	-
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	IC50	-	-	-
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	IC50	-	-	-
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	Ki	-	-	-
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	IC50	-	-	-
P41145	BXGT010225	Kappa-type opioid receptor	reviewed	G-protein coupled receptor	OPRK1	Ki	-	-	-
P06241	BXGT006429	Tyrosine-protein kinase Fyn	reviewed	Kinase	FYN	Ki	-	-	-
O76074	BXGT005174	cGMP-specific 3',5'-cyclic phosphodiesterase	reviewed	-	PDE5A	IC50	-	-	-
P25105	BXGT009021	Platelet-activating factor receptor	reviewed	G-protein coupled receptor	PTAFR	Ki	-	-	-
Q12809	BXGT013267	Potassium voltage-gated channel subfamily H member 2	reviewed	Ion channel	KCNH2	Ki	-	-	-
P35367	BXGT009821	Histamine H1 receptor	reviewed	G-protein coupled receptor	HRH1	Ki	-	-	-
P08311	BXGT006762	Cathepsin G	reviewed	Enzyme	CTSG	IC50	-	-	-
P41595	BXGT010267	5-hydroxytryptamine receptor 2B	reviewed	G-protein coupled receptor	HTR2B	Ki	-	-	-
P30411	BXGT009424	B2 bradykinin receptor	reviewed	G-protein coupled receptor	BDKRB2	Ki	-	-	-
P51679	BXGT010877	C-C chemokine receptor type 4	reviewed	G-protein coupled receptor	CCR4	Ki	-	-	-
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'='	76	%
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	IC50	-	-	-
P41968	BXGT010275	Melanocortin receptor 3	reviewed	G-protein coupled receptor	MC3R	IC50	-	-	-
P29476	BXGT009354	Nitric oxide synthase, brain	reviewed	-	Nos1	IC50	-	-	-
P08246	BXGT006756	Neutrophil elastase	reviewed	Enzyme	ELANE	Ki	-	-	-
P27361	BXGT009176	Mitogen-activated protein kinase 3	reviewed	Kinase	MAPK3	Ki	-	-	-
Q16539	BXGT013634	Mitogen-activated protein kinase 14	reviewed	Kinase	MAPK14	Ki	-	-	-
P04150	BXGT006154	Glucocorticoid receptor	reviewed	Nuclear receptor	NR3C1	Ki	-	-	-
P11229	BXGT007676	Muscarinic acetylcholine receptor M1	reviewed	G-protein coupled receptor	CHRM1	IC50	-	-	-
P08912	BXGT006840	Muscarinic acetylcholine receptor M5	reviewed	G-protein coupled receptor	CHRM5	Ki	-	-	-
P29466	BXGT009349	Caspase-1	reviewed	Enzyme	CASP1	IC50	-	-	-
Q16539	BXGT013634	Mitogen-activated protein kinase 14	reviewed	Kinase	MAPK14	IC50	-	-	-
P19327	BXGT008472	5-hydroxytryptamine receptor 1A	reviewed	-	Htr1a	IC50	-	-	-
P19327	BXGT008472	5-hydroxytryptamine receptor 1A	reviewed	-	Htr1a	Ki	-	-	-
O75469	BXGT005128	Nuclear receptor subfamily 1 group I member 2	reviewed	Nuclear receptor	NR1I2	EC50	'='	2800	nM
O75469	BXGT005128	Nuclear receptor subfamily 1 group I member 2	reviewed	Nuclear receptor	NR1I2	Efficacy	'='	107	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01461	Liriodendron tulipifera	Liriodendron tulipifera	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}