General Information of DFM (ID: F03288)
Name	Carbamazepine 100 mg capsule
Company	Nostrum Laboratories
Active Pharmaceutical Ingredient (API)	Carbamazepine		API Info click to show the detail info of this API
	Epilepsy		ICD-11: 8A60	Approved
Drug Inactive Ingredient (DIGs)
	DIG ID	DIG Info	DIG Name	DIG Functional Class
	E01OUP	DIG Info	Allura red AC dye	Colorant
	E0IC9H	DIG Info	FD&C blue no. 1	Colorant
	E0L3MB	DIG Info	FD&C blue no. 2	Colorant
	E02FBG	DIG Info	Ferrosoferric oxide	Colorant
	E0X2OX	DIG Info	Medium-chain triglyceride	Emollient ...
	E0R0WE	DIG Info	Oleic acid	Emulsifying agent ...
	E0H6BT	DIG Info	Quinoline yellow WS	Colorant
	E01UTV	DIG Info	Silicon dioxide	Anticaking agent ...
	E0F9TP	DIG Info	Sodium lauryl sulfate	Emulsifying agent ...
	E0L0MR	DIG Info	Sunset yellow FCF	Colorant
	E05BSD	DIG Info	Titanium dioxide	Coating agent ...

Full List of Biological Targets of DIG (DBTs) Regulated by DIG(s) in This DFM
G-protein coupled receptor (GPCR)
DBT Name: Serotonin receptor 2B (5HT2B)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 1
Biological Activity	EC50 > 10 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	5HT2B_HUMAN
DBT Name: Adenosine receptor A3 (AA3R)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	IC50 = 12 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	AA3R_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 2
Biological Activity	IC50 = 1 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	AA3R_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	IC50 = 15 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	AA3R_HUMAN
DBT Name: Cannabinoid CB2 receptor (CNR2)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 1
Biological Activity	EC50 = 608.6 nM (estimated based on the structural similarity with CHEMBL2326294 )					[2]
Structural Similarity	Tanimoto coefficient = 0.805970149
Tested Species	Homo sapiens (Human)
UniProt ID	CNR2_HUMAN
DBT Name: Muscarinic receptor M1 (ACM1)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	IC50 = 13 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ACM1_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	IC50 = 29 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ACM1_HUMAN
DBT Name: Serotonin receptor 1A (5HT1A)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	IC50 = 19 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	5HT1A_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	IC50 = 15 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	5HT1A_HUMAN
DBT Name: Alpha-1A adrenoceptor (ADA1A)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	IC50 = 15 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ADA1A_HUMAN
DBT Name: Alpha-2A adrenoceptor (ADA2A)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Quinoline yellow WS
Biological Activity	IC50 = 28 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ADA2A_HUMAN
DBT Name: Dopamine D1 receptor (DRD1)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	IC50 = 29 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	DRD1_HUMAN
DBT Name: Dopamine D3 receptor (DRD3)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Quinoline yellow WS
Biological Activity	IC50 = 26 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	DRD3_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	IC50 = 18 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	DRD3_HUMAN
DBT Name: Thromboxane A2 receptor (TBXA2R)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	IC50 = 25 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	TA2R_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	IC50 > 10 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	TA2R_HUMAN
Oxidoreductase (ORase)
DBT Name: Aromatase (ARO1)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	IC50 = 32700 nM (tested by experiment)					[3]
Tested Species	Homo sapiens (Human)
UniProt ID	CP19A_HUMAN
DBT Name: Monoamine oxidase A (MAO-A)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 2
Biological Activity	IC50 > 3 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	AOFA_HUMAN
DBT Name: Prostaglandin G/H synthase 1 (COX-1)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	IC50 > 500000 nM (tested by experiment)					[4]
Tested Species	Bos taurus (Bovine)
UniProt ID	PGH1_BOVIN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	IC50 = 6.7 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PGH1_HUMAN
DBT Name: Prostaglandin G/H synthase 2 (COX-2)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	IC50 > 500000 nM (tested by experiment)					[4]
Tested Species	Ovis aries (Sheep)
UniProt ID	PGH2_SHEEP
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 1
Biological Activity	IC50 = 22 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PGH2_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	IC50 = 26 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PGH2_HUMAN
Experiment (4) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	IC50 = 3.5 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PGH2_HUMAN
Experiment (5) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 2
Biological Activity	IC50 = 24 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PGH2_HUMAN
DBT Name: Albendazole monooxygenase (CYP3A4)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	Inhibition ratio < 20 % (tested by experiment)					[5]
Tested Species	Homo sapiens (Human)
UniProt ID	CP3A4_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Silicon dioxide
Biological Activity	Protein expression downregulation (tested by experiment)					[6]
Tested Species	Homo sapiens (Human)
UniProt ID	CP3A4_HUMAN
Transferase (TFase)
DBT Name: Telomerase reverse transcriptase (TERT)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	IC50 = 8600 nM (tested by experiment)					[7]
Tested Species	Homo sapiens (Human)
UniProt ID	TERT_HUMAN
DBT Name: VEGF-2 receptor (KDR)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 2
Biological Activity	IC50 = 3.1 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	VGFR2_HUMAN
Hydrolase (HDase)
DBT Name: Acetylcholinesterase (ACHE)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 1
Biological Activity	IC50 > 10 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ACES_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Quinoline yellow WS
Biological Activity	IC50 > 10 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ACES_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	IC50 > 10 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ACES_HUMAN
DBT Name: Proconvertin-TF complex (F7-F3)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	IC50 = 80000 nM (tested by experiment)					[8]
Tested Species	Homo sapiens (Human)
UniProt ID	FA7_HUMAN ; TF_HUMAN
DBT Name: Protein-tyrosine phosphatase 1D (PTPN11)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 2
Biological Activity	IC50 = 7940 nM (estimated based on the structural similarity with CHEMBL3692077 )					[9]
Structural Similarity	Tanimoto coefficient = 0.822222222
Tested Species	Homo sapiens (Human)
UniProt ID	PTN11_HUMAN
DBT Name: Soluble epoxide hydrolase (EPHX2)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	IC50 = 5500 nM (tested by experiment)					[10]
Tested Species	Homo sapiens (Human)
UniProt ID	HYES_HUMAN
DBT Name: Trypsin (PRSS)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	IC50 > 200000 nM (tested by experiment)					[8]
Tested Species	Sus scrofa (Pig)
UniProt ID	TRYP_PIG
DBT Name: Protein-tyrosine phosphatase 1B (PTPN1)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	IC50 = 33000 nM (tested by experiment)					[11]
Tested Species	Homo sapiens (Human)
UniProt ID	PTN1_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	IC50 = 410000 nM (tested by experiment)					[11]
Tested Species	Saccharomyces cerevisiae (Yeast)
UniProt ID	PTP1_YEAST
DBT Name: Phosphodiesterase 3A (PDE3A)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	IC50 = 17 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PDE3A_HUMAN
DBT Name: Phosphodiesterase 4D (PDE4D)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 1
Biological Activity	IC50 = 28 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PDE4D_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	IC50 = 23 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PDE4D_HUMAN
Primary active transporter (PAT)
DBT Name: Urate exporter (BCRP)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	Inhibition ratio > 60 % (tested by experiment)					[12]
Tested Species	Homo sapiens (Human)
UniProt ID	ABCG2_HUMAN
Potential-driven transporter (PDT)
DBT Name: Dopamine transporter (DAT)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Quinoline yellow WS
Biological Activity	IC50 = 29 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	SC6A3_HUMAN
DBT Name: Norepinephrine transporter (NET)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	IC50 = 27 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	SC6A2_HUMAN
DBT Name: Solute carrier SLCO1B1 (OATP-C)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	Ki = 2.9 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	SO1B1_HUMAN
DBT Name: Solute carrier SLCO2B1 (OATPB)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sunset yellow FCF
Biological Activity	Inhibition ratio = 54.5 % (tested by experiment)					[13]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sunset yellow FCF
Biological Activity	Ki = 68.4 uM (tested by experiment)					[13]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sunset yellow FCF
Biological Activity	Ki = 74 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (4) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 1
Biological Activity	Inhibition ratio = 80.5 % (tested by experiment)					[13]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (5) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 1
Biological Activity	Ki = 13 uM (tested by experiment)					[13]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (6) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	Inhibition ratio = 96.52 % (tested by experiment)					[13]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (7) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	Ki = 2.59 uM (tested by experiment)					[13]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (8) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	Ki = 4.7 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (9) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 2
Biological Activity	Inhibition ratio = 26 % (tested by experiment)					[13]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (10) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	Inhibition ratio = 88.6 % (tested by experiment)					[13]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (11) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	Ki = 1.98 uM (tested by experiment)					[13]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (12) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	Ki = 2.8 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
DBT Name: Monoamine transporter VAT2 (VMAT2)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	Ki = 4.7 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	VMAT2_HUMAN
Transmembrane channel/porin (TC/P)
DBT Name: Vanilloid receptor 2 (TrpV2)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	IC50 > 10000 nM (tested by experiment)					[14]
Tested Species	Rattus norvegicus (Rat)
UniProt ID	TRPV2_RAT
DBT Name: GABA(A) receptor alpha-1 (GABRA1)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	IC50 = 22 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	GBRA1_HUMAN
Nuclear receptor (NR)
DBT Name: Androgen receptor (AR)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	IC50 = 28 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ANDR_HUMAN
DBT Name: Estrogen receptor alpha (ESR1)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Quinoline yellow WS
Biological Activity	EC50 = 13156.33 nM (estimated based on the structural similarity with CHEMBL1417293 )					[15]
Structural Similarity	Tanimoto coefficient = 0.828729282
Tested Species	Homo sapiens (Human)
UniProt ID	ESR1_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Quinoline yellow WS
Biological Activity	IC50 = 18 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ESR1_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	IC50 = 15 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ESR1_HUMAN
Experiment (4) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	FD&C blue no. 2
Biological Activity	IC50 > 10 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	ESR1_HUMAN
DBT Name: PPAR-alpha (PPARA)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	IC50 = 600 nM (tested by experiment)					[16]
Tested Species	Homo sapiens (Human)
UniProt ID	PPARA_HUMAN
DBT Name: PPAR-delta (PPARD)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	IC50 = 5300 nM (tested by experiment)					[16]
Tested Species	Homo sapiens (Human)
UniProt ID	PPARD_HUMAN
DBT Name: PPAR-gamma (PPARG)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	IC50 = 4100 nM (tested by experiment)					[16]
Tested Species	Homo sapiens (Human)
UniProt ID	PPARG_HUMAN
DBT Name: Progesterone receptor (PGR)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	IC50 = 30 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PRGR_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	IC50 = 12 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PRGR_HUMAN
Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	IC50 = 15 uM (tested by experiment)					[1]
Tested Species	Homo sapiens (Human)
UniProt ID	PRGR_HUMAN
Other protein families (OPF)
DBT Name: Adipocyte lipid-binding protein (ALBP)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	Ki = 1500 nM (tested by experiment)					[17]
Tested Species	Homo sapiens (Human)
UniProt ID	FABP4_HUMAN
DBT Name: Liver lipid-binding protein (L-FABP)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Oleic acid
Biological Activity	Ki = 180 nM (tested by experiment)					[18]
Tested Species	Rattus norvegicus (Rat)
UniProt ID	FABPL_RAT
DBT Name: Thrombopoietin receptor (MPL)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sunset yellow FCF
Biological Activity	EC50 = 3000 nM (estimated based on the structural similarity with CHEMBL122867 )					[19]
Structural Similarity	Tanimoto coefficient = 0.93081761
Tested Species	Homo sapiens (Human)
UniProt ID	TPOR_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Allura red AC dye
Biological Activity	EC50 = 300 nM (estimated based on the structural similarity with CHEMBL123373 )					[19]
Structural Similarity	Tanimoto coefficient = 0.925714286
Tested Species	Homo sapiens (Human)
UniProt ID	TPOR_HUMAN
Cell line (CELL)
DBT Name: Colon cancer Caco-2 cells (Caco-2)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Medium-chain triglyceride
Biological Activity	Inhibition ratio > 36 % (tested by experiment)					[20]
Tested Species	Homo sapiens (Human)
DBT Name: Colon cancer HCT-116 cells (HCT-116)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	IC50 > 100000 nM (tested by experiment)					[21]
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0291
DBT Name: Leukemia RAW264.7 cells (RAW264.7)				Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Interacting DIG	Sodium lauryl sulfate
Biological Activity	IC50 > 100000 nM (tested by experiment)					[21]
Tested Species	Mus musculus (Mouse)
Cellosaurus ID	CVCL_0493

References
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4	Cox-2 inhibitory effects of naturally occurring and modified fatty acids. J Nat Prod. 2001 Jun; 64(6):745-9.
5	Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.
6	Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.
7	Natural products targeting telomere maintenance. Med Chem Comm. (2011) 2:229-245.
8	Inhibitory activity of unsaturated fatty acids and anacardic acids toward soluble tissue factor-factor VIIa complex. J Nat Prod. 1998 Nov; 61(11):1352-5.
9	US patent application no. 8987474B2, Inhibition of Shp2/PTPN11 Protein Tyrosine Phosphatase by NSC-87877, NSC-117199 and Their Analogs.
10	Discovery of the First in Vivo Active Inhibitors of the Soluble Epoxide Hydrolase Phosphatase Domain. J Med Chem. 2019 Sep 26; 62(18):8443-8460.
11	Evans Blue and other dyes as protein tyrosine phosphatase inhibitors. Bioorg Med Chem Lett. 2004 Apr 19; 14(8):1923-6.
12	Oleic acid decreases BCRP mediated efflux of mitoxantrone in Caco-2 cell monolayers. Food Chem Toxicol. 2012 Oct;50(10):3635-45.
13	Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.
14	Elongation of the Hydrophobic Chain as a Molecular Switch: Discovery of Capsaicin Derivatives and Endogenous Lipids as Potent Transient Receptor Potential Vanilloid Channel 2 Antagonists. J Med Chem. 2018 Sep 27; 61(18):8255-8281.
15	PubChem BioAssay data set.
16	Molecular properties of fatty acids related to PPAR binding and metabolic diseases. Med Chem Res (2013) 22:3126-3133.
17	The discovery of novel and selective fatty acid binding protein 4 inhibitors by virtual screening and biological evaluation. Bioorg Med Chem. 2016 Sep 15; 24(18):4310-4317.
18	Characterization of the drug binding specificity of rat liver fatty acid binding protein. J Med Chem. 2008 Jul 10; 51(13):3755-64.
19	Hydrazinonaphthalene and azonaphthalene thrombopoietin mimics are nonpeptidyl promoters of megakaryocytopoiesis. J Med Chem. 2001 Oct 25; 44(22):3730-45.
20	Interactions between human multidrug resistance related protein (MRP2; ABCC2) and excipients commonly used in self-emulsifying drug delivery systems (SEDDS). Int J Pharm. 2013 Apr 15;447(1-2):192-8.
21	Synthesis of amphiphilic, chalcogen-based redox modulators with in vitro cytotoxic activity against cancer cells, macrophages and microbes. Med Chem Comm. (2014) 5:25-31.

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