TDR Targets

Basic information

Technical information

TDR Targets ID: 341674
Name: methyl 3-[(4R,5R)-3,3-dibutyl-7-(dimethylamin o)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-benzo[b ]thiepin-5-yl]benzoate
MW: 501.678 | Formula: C28H39NO5S
H donors: 1 H acceptors: 4 LogP: 6.07 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: CCCCC1(CCCC)CS(=O)(=O)c2c([C@H]([C@H]1O)c1cccc(c1)C(=O)OC)cc(cc2)N(C)C
InChi: 1S/C28H39NO5S/c1-6-8-15-28(16-9-7-2)19-35(32,33)24-14-13-22(29(3)4)18-23(24)25(26(28)30)20-11-10-12-21(17-20)27(31)34-5/h10-14,17-18,25-26,30H,6-9,15-16,19H2,1-5H3/t25-,26-/m1/s1
InChiKey: HWERMQRPYCYKSK-CLJLJLNGSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

3-[(4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-benzo[b]thiepin-5-yl]benzoic acid methyl ester
3-[(4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-diketo-4,5-dihydro-2H-benzo[b]thiepin-5-yl]benzoic acid methyl ester
methyl 3-[(4R,5R)-3,3-dibutyl-7-dimethylamino-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-benzo[b]thiepin-5-yl]benzoate
3-[(4R,5R)-3,3-dibutyl-7-dimethylamino-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-benzo[b]thiepin-5-yl]benzoic acid methyl ester
3-[(4R,5R)-3,3-dibutyl-7-dimethylamino-4-hydroxy-1,1-diketo-4,5-dihydro-2H-benzo[b]thiepin-5-yl]benzoic acid methyl ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	solute carrier family 10 (sodium/bile acid cotransporter), member 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128996	All targets in OG5_128996
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_128996	All targets in OG5_128996
Echinococcus multilocularis	sodium bile acid cotransporter	Get druggable targets OG5_128996	All targets in OG5_128996
Schistosoma japonicum	IPR002657,Bile acid:sodium symporter,domain-containing	Get druggable targets OG5_128996	All targets in OG5_128996
Echinococcus multilocularis	sodium bile acid cotransporter	Get druggable targets OG5_128996	All targets in OG5_128996
Schistosoma mansoni	sodium-bile acid cotransporter	Get druggable targets OG5_128996	All targets in OG5_128996
Brugia malayi	Sodium Bile acid symporter family protein	Get druggable targets OG5_128996	All targets in OG5_128996
Echinococcus granulosus	sodium bile acid cotransporter	Get druggable targets OG5_128996	All targets in OG5_128996
Schistosoma mansoni	sodium-bile acid cotransporter related	Get druggable targets OG5_128996	All targets in OG5_128996
Onchocerca volvulus		Get druggable targets OG5_128996	All targets in OG5_128996
Echinococcus granulosus	sodium bile acid cotransporter	Get druggable targets OG5_128996	All targets in OG5_128996
Echinococcus granulosus	sodium bile acid cotransporter	Get druggable targets OG5_128996	All targets in OG5_128996
Echinococcus multilocularis	sodium bile acid cotransporter	Get druggable targets OG5_128996	All targets in OG5_128996
Schistosoma japonicum	ko:K03453 bile acid:Na+ symporter, BASS family, putative	Get druggable targets OG5_128996	All targets in OG5_128996

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0198	0.0015
Echinococcus granulosus	acyl carrier protein mitochondrial	0.0037	0.0244	0.0244
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0037	0.0244	0.5
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0037	0.0244	1
Echinococcus granulosus	Protein kinase C brain isozyme	0.0222	0.3898	0.3898
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.008	0.3266
Schistosoma mansoni	importin beta-1	0.0028	0.008	0.008
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0034	0.0198	0.0198
Entamoeba histolytica	protein kinase, putative	0.0034	0.0198	0.119
Echinococcus granulosus	NADH dehydrogenase ubiquinone flavoprotein 1	0.0531	1	1
Schistosoma mansoni	sodium-bile acid cotransporter related	0.0247	0.44	0.44
Echinococcus multilocularis	protein kinase c epsilon type	0.0064	0.0776	0.0776
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.008	0.008
Onchocerca volvulus	Fatty acid synthase homolog	0.0037	0.0244	0.0474
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0198	0.0015
Echinococcus granulosus	sodium bile acid cotransporter	0.0247	0.44	0.44
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0025	0.0015	0.0015
Entamoeba histolytica	protein kinase, putative	0.0034	0.0198	0.119
Loa Loa (eye worm)	hypothetical protein	0.0247	0.44	0.44
Giardia lamblia	Hypothetical protein	0.0109	0.1667	0.5
Schistosoma mansoni	protein kinase C mu	0.0025	0.0015	0.0015
Echinococcus granulosus	chromatin regulatory protein sir2	0.0109	0.1667	0.1667
Loa Loa (eye worm)	hypothetical protein	0.0028	0.008	0.008
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0198	0.0198
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0407	0.0407
Trichomonas vaginalis	NADH-ubiquinone oxidoreductase flavoprotein, putative	0.0531	1	1
Echinococcus granulosus	protein kinase c epsilon type	0.0064	0.0776	0.0776
Schistosoma mansoni	unc-13 (munc13)	0.0029	0.0099	0.0099
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0034	0.0198	0.0198
Trypanosoma brucei	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	0.0531	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0034	0.0198	0.0198
Entamoeba histolytica	protein kinase, putative	0.0034	0.0198	0.119
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0302	0.548	0.548
Schistosoma mansoni	serine/threonine protein kinase	0.0034	0.0198	0.0198
Echinococcus granulosus	NDR protein kinase	0.0034	0.0198	0.0198
Echinococcus multilocularis	geminin	0.0166	0.2801	0.2801
Schistosoma mansoni	unc-13 (munc13)	0.0029	0.0099	0.0099
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0034	0.0198	0.0198
Echinococcus multilocularis	NADH dehydrogenase (ubiquinone) flavoprotein 1	0.0531	1	1
Schistosoma mansoni	hypothetical protein	0.0037	0.0244	0.0244
Schistosoma mansoni	sodium-bile acid cotransporter related	0.01	0.15	0.15
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0198	0.0015
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0109	0.1667	1
Echinococcus granulosus	serine:threonine protein kinase N2	0.0034	0.0198	0.0198
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0198	0.0015
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0109	0.1667	0.1511
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0037	0.0244	0.0244
Chlamydia trachomatis	acyl carrier protein	0.0037	0.0244	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0407	0.0407
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0025	0.0015	0.0015
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0037	0.0244	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0198	0.0015
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0164	0.2757	0.2757
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0222	0.3898	0.3898
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0025	0.0015	0.0015
Brugia malayi	AMP-binding enzyme family protein	0.0037	0.0244	0.0244
Leishmania major	NADH-ubiquinone oxidoreductase, mitochondrial, putative	0.0531	1	1
Schistosoma mansoni	NADH-ubiquinone oxidoreductase	0.0531	1	1
Brugia malayi	Protein kinase c protein 2	0.0188	0.3236	0.3236
Echinococcus granulosus	snurportin 1	0.0302	0.548	0.548
Toxoplasma gondii	type I fatty acid synthase, putative	0.0037	0.0244	1
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0034	0.0198	0.0198
Trypanosoma brucei	Acyl carrier protein, mitochondrial	0.0037	0.0244	0.0165
Echinococcus granulosus	NADH dehydrogenase	0.0037	0.0244	0.0244
Brugia malayi	Sodium Bile acid symporter family protein	0.0247	0.44	0.44
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0407	0.0407
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0407	0.0407
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0109	0.1667	1
Echinococcus granulosus	AMP dependent ligase	0.0037	0.0244	0.0244
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 3	0.0109	0.1667	0.1667
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0034	0.0198	0.0198
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0037	0.0244	0.5
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0034	0.0198	0.0198
Echinococcus granulosus	importin subunit beta 1	0.0028	0.008	0.008
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0037	0.0244	0.5
Brugia malayi	protein kinase C II.	0.0064	0.0776	0.0776
Schistosoma mansoni	chromatin regulatory protein sir2	0.0109	0.1667	0.1667
Loa Loa (eye worm)	transcriptional regulator	0.0109	0.1667	0.1667
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0037	0.0244	0.0244
Onchocerca volvulus	Acyl carrier protein, mitochondrial homolog	0.0037	0.0244	0.0474
Brugia malayi	Hr1 repeat family protein	0.0034	0.0198	0.0198
Echinococcus granulosus	unc 13 munc13	0.0029	0.0099	0.0099
Onchocerca volvulus		0.0247	0.44	0.8564
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0034	0.0198	0.0198
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0244	0.5
Loa Loa (eye worm)	acyl carrier protein	0.0037	0.0244	0.0244
Schistosoma mansoni	serine/threonine protein kinase	0.0064	0.0776	0.0776
Schistosoma mansoni	serine/threonine protein kinase	0.0034	0.0198	0.0198
Echinococcus multilocularis	serine threonine protein kinase	0.0198	0.342	0.342
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0037	0.0244	0.5
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0037	0.0244	0.5
Brugia malayi	Protein kinase domain containing protein	0.0034	0.0198	0.0198
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0037	0.0244	0.5
Plasmodium falciparum	acyl carrier protein	0.0037	0.0244	1
Schistosoma mansoni	protein kinase C	0.0029	0.0099	0.0099
Schistosoma mansoni	acyl carrier protein	0.0037	0.0244	0.0244
Treponema pallidum	nitrogen fixation protein (rnfC)	0.0118	0.1857	1
Loa Loa (eye worm)	hypothetical protein	0.0183	0.3122	0.3122
Onchocerca volvulus	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog	0.0285	0.5138	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0037	0.0244	0.0244
Schistosoma mansoni	serine/threonine protein kinase	0.0025	0.0015	0.0015
Wolbachia endosymbiont of Brugia malayi	NADH dehydrogenase I subunit F	0.0531	1	1
Mycobacterium leprae	Polyketide synthase Pks13	0.0037	0.0244	0.5
Echinococcus multilocularis	sodium bile acid cotransporter	0.0247	0.44	0.44
Brugia malayi	Importin beta-1 subunit	0.0028	0.008	0.008
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0034	0.0198	0.0198
Schistosoma mansoni	hypothetical protein	0.0166	0.2801	0.2801
Schistosoma mansoni	serine/threonine protein kinase	0.0222	0.3898	0.3898
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0198	0.0015
Brugia malayi	Phosphopantetheine attachment site family protein	0.0037	0.0244	0.0244
Brugia malayi	AMP-binding enzyme family protein	0.0037	0.0244	0.0244
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0037	0.0244	0.5
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0034	0.0198	0.0198
Schistosoma mansoni	hypothetical protein	0.0302	0.548	0.548
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0244	0.0244
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0029	0.0099	0.0099
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0025	0.0015	0.0015
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0034	0.0198	0.0198
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0029	0.0099	0.0099
Leishmania major	silent information regulator 2, putative	0.0109	0.1667	0.1459
Brugia malayi	p70 ribosomal S6 kinase beta	0.0034	0.0198	0.0198
Schistosoma mansoni	sodium-bile acid cotransporter	0.0147	0.2422	0.2422
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0407	0.0407
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0037	0.0244	0.1462
Echinococcus multilocularis	snurportin 1	0.0302	0.548	0.548
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0198	0.0015
Trichomonas vaginalis	NADH-ubiquinone oxidoreductase flavoprotein, putative	0.0531	1	1
Echinococcus granulosus	sodium bile acid cotransporter	0.0247	0.44	0.44
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0109	0.1667	0.1511
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0198	0.0015
Brugia malayi	Protein kinase domain containing protein	0.0034	0.0198	0.0198
Loa Loa (eye worm)	phosphopantetheine attachment site family protein	0.0037	0.0244	0.0244
Mycobacterium ulcerans	membrane protein ComEA	0.0118	0.1857	0.1654
Brugia malayi	C1-like domain containing protein	0.0025	0.0015	0.0015
Brugia malayi	protein kinase C3,putative	0.0025	0.0015	0.0015
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.0109	0.1667	0.1459
Mycobacterium ulcerans	NADH dehydrogenase I subunit F	0.0531	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0198	0.0015
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0034	0.0198	0.012
Schistosoma mansoni	serine/threonine protein kinase	0.0025	0.0015	0.0015
Mycobacterium tuberculosis	Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F)	0.0531	1	1
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0037	0.0244	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0407	0.0407
Toxoplasma gondii	acyl carrier protein ACP	0.0037	0.0244	1
Echinococcus granulosus	sodium bile acid cotransporter	0.0247	0.44	0.44
Trypanosoma cruzi	NADH-ubiquinone oxidoreductase, mitochondrial, putative	0.0531	1	1
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0064	0.0776	0.0776
Onchocerca volvulus		0.0029	0.0099	0.0193
Brugia malayi	RNA, U transporter 1	0.008	0.1109	0.1109
Trypanosoma brucei	Silent information regulator 2 related protein 1	0.0109	0.1667	0.16
Echinococcus granulosus	geminin	0.0166	0.2801	0.2801
Echinococcus multilocularis	sodium bile acid cotransporter	0.0247	0.44	0.44
Echinococcus multilocularis	sodium bile acid cotransporter	0.0247	0.44	0.44
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0198	0.0015
Plasmodium vivax	acyl carrier protein, putative	0.0037	0.0244	1
Echinococcus granulosus	RNA directed DNA polymerase	0.0158	0.2643	0.2643
Schistosoma mansoni	chromatin regulatory protein sir2	0.0109	0.1667	0.1667
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0034	0.0198	0.0198
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0118	0.1857	0.1654
Brugia malayi	Protein kinase domain containing protein	0.0025	0.0015	0.0015
Schistosoma mansoni	serine/threonine protein kinase	0.0222	0.3898	0.3898
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0037	0.0244	0.0244
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0198	0.0015
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0034	0.0198	0.0198
Trypanosoma brucei	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative	0.0531	1	1
Echinococcus multilocularis	NADH dehydrogenase	0.0037	0.0244	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0099	0.0099
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0034	0.0198	0.0198
Echinococcus multilocularis	unc 13 (munc13)	0.0029	0.0099	0.0099
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0109	0.1667	0.1667
Loa Loa (eye worm)	hypothetical protein	0.0158	0.2643	0.2643
Echinococcus multilocularis	AMP dependent ligase	0.0037	0.0244	0.0244
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0158	0.2643	0.2643
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.0109	0.1667	0.1459
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0407	0.0407
Schistosoma mansoni	atypical protein kinase C	0.0059	0.0677	0.0677
Echinococcus multilocularis	Acyl carrier protein, mitochondrial	0.0037	0.0244	0.0244
Onchocerca volvulus		0.0037	0.0244	0.0474
Echinococcus multilocularis	RNA directed DNA polymerase	0.0158	0.2643	0.2643
Loa Loa (eye worm)	NADH-ubiquinone oxidoreductase 51 kDa subunit	0.0531	1	1
Trypanosoma cruzi	NADH-ubiquinone oxidoreductase, mitochondrial, putative	0.0531	1	1
Echinococcus granulosus	protein kinase C gamma type	0.0198	0.342	0.342
Loa Loa (eye worm)	acyl carrier protein	0.0037	0.0244	0.0244
Echinococcus multilocularis	protein kinase c iota type	0.0059	0.0677	0.0677
Schistosoma mansoni	hypothetical protein	0.0166	0.2801	0.2801
Brugia malayi	acyl carrier protein, mitochondrial precursor, putative	0.0037	0.0244	0.0244
Brugia malayi	Protein kinase domain containing protein	0.0034	0.0198	0.0198
Schistosoma mansoni	serine/threonine kinase	0.0034	0.0198	0.0198
Echinococcus multilocularis	chromatin regulatory protein sir2	0.0109	0.1667	0.1667
Echinococcus granulosus	NAD dependent deacetylase sirtuin 3	0.0109	0.1667	0.1667
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0025	0.0015	0.0015
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0407	0.0407
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0037	0.0244	0.1462
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0034	0.0198	0.0198
Onchocerca volvulus		0.0037	0.0244	0.0474
Echinococcus granulosus	protein kinase c iota type	0.0059	0.0677	0.0677
Toxoplasma gondii	AGC kinase	0.0034	0.0198	0.8138
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0034	0.0198	0.0198
Onchocerca volvulus		0.0037	0.0244	0.0474
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0034	0.0198	0.0198
Toxoplasma gondii	type I fatty acid synthase, putative	0.0037	0.0244	1
Schistosoma mansoni	serine/threonine protein kinase	0.0034	0.0198	0.0198
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0407	0.0407
Schistosoma mansoni	chromatin regulatory protein sir2	0.0109	0.1667	0.1667
Entamoeba histolytica	protein kinase, putative	0.0034	0.0198	0.119
Mycobacterium leprae	Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.0244	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 7 nM	In vitro inhibition of ASBT mediated uptake of [14C]-taurocholate (5 uM) in baby hamster cells expressing human IBAT	ChEMBL.	16134951
IC50 (binding)	= 7 nM	In vitro inhibition of ASBT mediated uptake of [14C]-taurocholate (5 uM) in baby hamster cells expressing human IBAT	ChEMBL.	16134951

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

PubChem: 11547864

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 341674