dwb2023/gtopdb-target-family-interaction-detail huggingface dataset:
Target family: Cyclic nucleotide-regulated channels (CNG) (type: vgic)
Target: CNGB3

Ligand: L-(cis)-diltiazem (Synthetic organic)
Interaction type: Channel blocker
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 5.5 pIC50
Reference (Journal): Molecular cloning and functional characterization of a new modulatory cyclic nucleotide-gated channel subunit from mouse retina.
Published in: J Neurosci
Target family: Cyclic nucleotide-regulated channels (CNG) (type: vgic)
Target: HCN1

Ligand: cilobradine (Synthetic organic)
Interaction type: Channel blocker
Action: Antagonist
Ligand approved: no
Median affinity: 5.9 pIC50
Reference (Journal): Bradycardic and proarrhythmic properties of sinus node inhibitors.
Published in: Mol Pharmacol

Ligand: clonidine (Synthetic organic)
Interaction type: Channel blocker
Action: Antagonist
Ligand approved: yes
Approval source: FDA (1974)
Median affinity: 4.4 pIC50
Reference (Journal): Direct inhibition of cardiac hyperpolarization-activated cyclic nucleotide-gated pacemaker channels by clonidine.
Published in: Circulation

Ligand: Cs+ (Inorganic)
Interaction type: Channel blocker
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 3.700000047683716 pIC50
Reference (Journal): Functional expression of the human HCN3 channel.
Published in: J Biol Chem

Ligand: cyclic AMP (Metabolite)
Interaction type: Activator
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 7.199999809265137 pKd
Reference (Journal): Regulation of hyperpolarization-activated HCN channel gating and cAMP modulation due to interactions of COOH terminus and core transmembrane regions.
Published in: J Gen Physiol

Ligand: cyclic AMP (Metabolite)
Interaction type: Activator
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 7.199999809265137 pKd
Reference (Journal): Properties of hyperpolarization-activated pacemaker current defined by coassembly of HCN1 and HCN2 subunits and basal modulation by cyclic nucleotide.
Published in: J Gen Physiol

Ligand: EC18 (Synthetic organic)
Interaction type: Channel blocker
Action: None
Ligand approved: no
Primary target: no
Median affinity: 4.679999828338623 pEC50
Reference (Journal): Novel blockers of hyperpolarization-activated current with isoform selectivity in recombinant cells and native tissue.
Published in: Br J Pharmacol

Ligand: ivabradine (Synthetic organic)
Interaction type: Channel blocker
Action: Antagonist
Ligand approved: yes
Approval source: EMA (2005), FDA (2015)
Primary target: no
Median affinity: 5.699999809265137 pIC50
Reference (Journal): Bradycardic and proarrhythmic properties of sinus node inhibitors.
Published in: Mol Pharmacol

Ligand: ivabradine (Synthetic organic)
Interaction type: Channel blocker
Action: Antagonist
Ligand approved: yes
Approval source: EMA (2005), FDA (2015)
Median affinity: 6 pIC50
Reference (Journal): Properties of ivabradine-induced block of HCN1 and HCN4 pacemaker channels.
Published in: J Physiol (Lond.)
Target family: Cyclic nucleotide-regulated channels (CNG) (type: vgic)
Target: CNGA1

Ligand: cyclic GMP (Metabolite)
Interaction type: Activator
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity:  pKi
Reference (Journal): C-Linker of cyclic nucleotide-gated channels controls coupling of ligand binding to channel gating.
Published in: J Gen Physiol
Target family: Cyclic nucleotide turnover/signalling (<i>Plasmodium spp.</i>) (type: other_protein)
Target: Plasmodium falciparum adenylyl cyclase beta

Ligand: KH7 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.300000190734863 pIC50
Reference (Journal): Characterization of Plasmodium falciparum adenylyl cyclase-β and its role in erythrocytic stage parasites.
Published in: PLoS One
Target family: Cyclin-dependent kinase-like (CDKL) family (type: enzyme)
Target: cyclin dependent kinase like 1

Ligand: compound 9b [PMID: 18986805] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.21999979019165 pIC50
Reference (Journal): Imidazole pyrimidine amides as potent, orally bioavailable cyclin-dependent kinase inhibitors.
Published in: Bioorg Med Chem Lett
Target family: Cyclin-dependent kinase-like (CDKL) family (type: enzyme)
Target: cyclin dependent kinase like 2

Ligand: URMC-099 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Discovery, synthesis, and characterization of an orally bioavailable, brain penetrant inhibitor of mixed lineage kinase 3.
Published in: J Med Chem
Target family: CYP11, CYP17, CYP19, CYP20 and CYP21 families (type: enzyme)
Target: CYP11A1

Ligand: (2S,4S)-ketoconazole (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.900000095367432 pIC50
Reference (Journal): Stereoisomers of ketoconazole: preparation and biological activity.
Published in: J Med Chem

Ligand: aminoglutethimide (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1980)
Primary target: no
Median affinity: 4.519999980926514 pIC50
Reference (Journal): Fadrozole hydrochloride: a potent, selective, nonsteroidal inhibitor of aromatase for the treatment of estrogen-dependent disease.
Published in: J Med Chem

Ligand: mitotane (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1970), EMA (2004)
Primary target: no
Median affinity:  -
Reference (Journal): The effect of mitotane on viability, steroidogenesis and gene expression in NCI‑H295R adrenocortical cells.
Published in: Mol Med Rep

Ligand: mitotane (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1970), EMA (2004)
Primary target: no
Median affinity:  -
Reference (Journal): Adrenocortical cancer: pathophysiology and clinical management.
Published in: Endocr Relat Cancer
Target family: CYP11, CYP17, CYP19, CYP20 and CYP21 families (type: enzyme)
Target: CYP11B1

Ligand: (2S,4S)-ketoconazole (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.900000095367432 pIC50
Reference (Journal): Stereoisomers of ketoconazole: preparation and biological activity.
Published in: J Med Chem

Ligand: azalanstat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.460000038146973 pKi
Reference (Journal): Selective inhibition of mammalian lanosterol 14 alpha-demethylase: a possible strategy for cholesterol lowering.
Published in: J Med Chem

Ligand: fadrozole (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: Japan only
Primary target: no
Median affinity: 8.65999984741211 pKi
Reference (Journal): Coexpression of CYP11B2 or CYP11B1 with adrenodoxin and adrenodoxin reductase for assessing the potency and selectivity of aldosterone synthase inhibitors.
Published in: Anal Biochem

Ligand: levoketoconazole (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2021)
Primary target: no
Median affinity: 6.21999979019165 pIC50
Reference (Journal): Stereoisomers of ketoconazole: preparation and biological activity.
Published in: J Med Chem

Ligand: metyrapone (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1961)
Primary target: yes
Median affinity: 7.840000152587891 pIC50
Reference (Journal): N-(Pyridin-3-yl)benzamides as selective inhibitors of human aldosterone synthase (CYP11B2).
Published in: Bioorg Med Chem Lett

Ligand: osilodrostat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: EMA & FDA (2020)
Primary target: no
Median affinity: 8.539999961853027 pIC50
Reference (Journal): Novel pyridyl- or isoquinolinyl-substituted indolines and indoles as potent and selective aldosterone synthase inhibitors.
Published in: J Med Chem
Target family: CYP11, CYP17, CYP19, CYP20 and CYP21 families (type: enzyme)
Target: CYP11B2

Ligand: baxdrostat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.399999618530273 pKi
Reference (Journal): Preclinical and Early Clinical Profile of a Highly Selective and Potent Oral Inhibitor of Aldosterone Synthase (CYP11B2).
Published in: Hypertension

Ligand: baxdrostat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.889999866485596 pKi
Reference (Journal): Preclinical and Early Clinical Profile of a Highly Selective and Potent Oral Inhibitor of Aldosterone Synthase (CYP11B2).
Published in: Hypertension

Ligand: fadrozole (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: Japan only
Primary target: no
Median affinity: 9.100000381469727 pKi
Reference (Journal): Coexpression of CYP11B2 or CYP11B1 with adrenodoxin and adrenodoxin reductase for assessing the potency and selectivity of aldosterone synthase inhibitors.
Published in: Anal Biochem

Ligand: metyrapone (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1961)
Primary target: no
Median affinity: 7.099999904632568 pIC50
Reference (Journal): N-(Pyridin-3-yl)benzamides as selective inhibitors of human aldosterone synthase (CYP11B2).
Published in: Bioorg Med Chem Lett

Ligand: osilodrostat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: EMA & FDA (2020)
Primary target: no
Median affinity: 9.699999809265137 pIC50
Reference (Journal): Novel pyridyl- or isoquinolinyl-substituted indolines and indoles as potent and selective aldosterone synthase inhibitors.
Published in: J Med Chem
Target family: CYP11, CYP17, CYP19, CYP20 and CYP21 families (type: enzyme)
Target: CYP17A1

Ligand: abiraterone (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity:  pIC50
Reference (Journal): Novel steroidal inhibitors of human cytochrome P45017 alpha (17 alpha-hydroxylase-C17,20-lyase): potential agents for the treatment of prostatic cancer.
Published in: J Med Chem

Ligand: abiraterone (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity:  pIC50
Reference (Journal): Effects of novel 17alpha-hydroxylase/C17, 20-lyase (P450 17, CYP 17) inhibitors on androgen biosynthesis in vitro and in vivo.
Published in: J Steroid Biochem Mol Biol

Ligand: galeterone (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.519999980926514 pIC50
Reference (Journal): Novel C-17-heteroaryl steroidal CYP17 inhibitors/antiandrogens: synthesis, in vitro biological activity, pharmacokinetics, and antitumor activity in the LAPC4 human prostate cancer xenograft model.
Published in: J Med Chem

Ligand: levoketoconazole (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2021)
Primary target: no
Median affinity: 7.420000076293945 pKi
Reference (Journal): Novel 17-azolyl steroids, potent inhibitors of human cytochrome 17 alpha-hydroxylase-C17,20-lyase (P450(17) alpha): potential agents for the treatment of prostate cancer.
Published in: J Med Chem

Ligand: YXG-158 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7 pIC50
Reference (Journal): Discovery of a Novel Bifunctional Steroid Analog, YXG-158, as an Androgen Receptor Degrader and CYP17A1 Inhibitor for the Treatment of Enzalutamide-Resistant Prostate Cancer.
Published in: J Med Chem
Target family: CYP11, CYP17, CYP19, CYP20 and CYP21 families (type: enzyme)
Target: CYP21A2

Ligand: (2S,4S)-ketoconazole (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.400000095367432 pIC50
Reference (Journal): Stereoisomers of ketoconazole: preparation and biological activity.
Published in: J Med Chem
Target family: CYP1 family (type: enzyme)
Target: CYP1A1

Ligand: 5H3'FPE (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.369999885559082 pIC50
Reference (Journal): Pyranoflavones: a group of small-molecule probes for exploring the active site cavities of cytochrome P450 enzymes 1A1, 1A2, and 1B1.
Published in: J Med Chem

Ligand: 65PF (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.820000171661377 pIC50
Reference (Journal): Pyranoflavones: a group of small-molecule probes for exploring the active site cavities of cytochrome P450 enzymes 1A1, 1A2, and 1B1.
Published in: J Med Chem

Ligand: chrysin (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.380000114440918 pKi
Reference (Journal): Comparative CYP1A1 and CYP1B1 substrate and inhibitor profile of dietary flavonoids.
Published in: Bioorg Med Chem
Target family: CYP1 family (type: enzyme)
Target: CYP1A2

Ligand: 5H3'FPE (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.380000114440918 pIC50
Reference (Journal): Pyranoflavones: a group of small-molecule probes for exploring the active site cavities of cytochrome P450 enzymes 1A1, 1A2, and 1B1.
Published in: J Med Chem

Ligand: 5H78PF (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.849999904632568 pIC50
Reference (Journal): Pyranoflavones: a group of small-molecule probes for exploring the active site cavities of cytochrome P450 enzymes 1A1, 1A2, and 1B1.
Published in: J Med Chem
Target family: CYP1 family (type: enzyme)
Target: CYP1B1

Ligand: 2,3',4,5'-Tetramethoxystilbene (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.220000267028809 pIC50
Reference (Journal): Design, synthesis, and discovery of novel trans-stilbene analogues as potent and selective human cytochrome P450 1B1 inhibitors.
Published in: J Med Chem

Ligand: 5H3'FPE (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.619999885559082 pIC50
Reference (Journal): Pyranoflavones: a group of small-molecule probes for exploring the active site cavities of cytochrome P450 enzymes 1A1, 1A2, and 1B1.
Published in: J Med Chem

Ligand: chrysin (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.800000190734863 pKi
Reference (Journal): Comparative CYP1A1 and CYP1B1 substrate and inhibitor profile of dietary flavonoids.
Published in: Bioorg Med Chem
Target family: CYP24, CYP26 and CYP27 families (type: enzyme)
Target: CYP24A1

Ligand: compound 4d [PMID: 20655626] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.789999961853027 pIC50
Reference (Journal): Synthesis and CYP24A1 inhibitory activity of (E)-2-(2-substituted benzylidene)- and 2-(2-substituted benzyl)-6-methoxy-tetralones.
Published in: Eur J Med Chem

Ligand: CTA091 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.199999809265137 pIC50
Reference (Journal): Vitamin D analogues targeting CYP24 in chronic kidney disease.
Published in: J Steroid Biochem Mol Biol

Ligand: lunacalcipol (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.599999904632568 pIC50
Reference (Journal): Vitamin D analogues targeting CYP24 in chronic kidney disease.
Published in: J Steroid Biochem Mol Biol
Target family: CYP24, CYP26 and CYP27 families (type: enzyme)
Target: CYP26A1

Ligand: compound 5 [PMID: 21838328] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 9.460000038146973 pIC50
Reference (Journal): Synthesis and biological evaluation of 3-(1H-imidazol- and triazol-1-yl)-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propyl derivatives as small molecule inhibitors of retinoic acid 4-hydroxylase (CYP26).
Published in: J Med Chem

Ligand: liarozole (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.699999809265137 pIC50
Reference (Journal): Substrate specificity and ligand interactions of CYP26A1, the human liver retinoic acid hydroxylase.
Published in: Mol Pharmacol

Ligand: R116010 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.399999618530273 pIC50
Reference (Journal): Substrate specificity and ligand interactions of CYP26A1, the human liver retinoic acid hydroxylase.
Published in: Mol Pharmacol

Ligand: talarozole (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Substrate specificity and ligand interactions of CYP26A1, the human liver retinoic acid hydroxylase.
Published in: Mol Pharmacol
Target family: CYP24, CYP26 and CYP27 families (type: enzyme)
Target: CYP27A1

Ligand: compound 4d [PMID: 20655626] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 7.230000019073486 pIC50
Reference (Journal): Synthesis and CYP24A1 inhibitory activity of (E)-2-(2-substituted benzylidene)- and 2-(2-substituted benzyl)-6-methoxy-tetralones.
Published in: Eur J Med Chem

Ligand: CTA091 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6 pIC50
Reference (Journal): Potent, selective and low-calcemic inhibitors of CYP24 hydroxylase: 24-sulfoximine analogues of the hormone 1alpha,25-dihydroxyvitamin D(3).
Published in: J Med Chem
Target family: CYP24, CYP26 and CYP27 families (type: enzyme)
Target: CYP27B1

Ligand: CTA091 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.260000228881836 pIC50
Reference (Journal): Potent, selective and low-calcemic inhibitors of CYP24 hydroxylase: 24-sulfoximine analogues of the hormone 1alpha,25-dihydroxyvitamin D(3).
Published in: J Med Chem
Target family: CYP2 family: drug metabolising subset (type: enzyme)
Target: CYP2A13

Ligand: kaempferol (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.920000076293945 pKi
Reference (Journal): Structure-activity relationship and <i>in vitro</i> inhibition of human cytochrome CYP2A6 and CYP2A13 by flavonoids.
Published in: Xenobiotica
Target family: CYP2 family: drug metabolising subset (type: enzyme)
Target: CYP2A6

Ligand: compound 23 [PMID: 17125252] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.21999979019165 pKi
Reference (Journal): Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization.
Published in: J Med Chem

Ligand: compound 38a [PMID: 15634016] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.699999809265137 pKi
Reference (Journal): 5-substituted, 6-substituted, and unsubstituted 3-heteroaromatic pyridine analogues of nicotine as selective inhibitors of cytochrome P-450 2A6.
Published in: J Med Chem

Ligand: compound 39a [PMID: 15634016] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.400000095367432 pKi
Reference (Journal): 5-substituted, 6-substituted, and unsubstituted 3-heteroaromatic pyridine analogues of nicotine as selective inhibitors of cytochrome P-450 2A6.
Published in: J Med Chem

Ligand: esculetin (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.409999847412109 pIC50
Reference (Journal): Inhibition of human cytochrome P450 2A6 by 7-hydroxycoumarin analogues: Analysis of the structure-activity relationship and isoform selectivity.
Published in: Eur J Pharm Sci
Target family: CYP2 family: drug metabolising subset (type: enzyme)
Target: CYP2B6

Ligand: sibutramine (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1997)
Primary target: no
Median affinity: 5.789999961853027 pIC50
Reference (Journal): Potent inhibition of cytochrome P450 2B6 by sibutramine in human liver microsomes.
Published in: Chem Biol Interact

Ligand: thiotepa (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1959), EMA (2010)
Primary target: no
Median affinity: 5.320000171661377 pKi
Reference (Journal): A comparison of 2-phenyl-2-(1-piperidinyl)propane (ppp), 1,1',1''-phosphinothioylidynetrisaziridine (thioTEPA), clopidogrel, and ticlopidine as selective inactivators of human cytochrome P450 2B6.
Published in: Drug Metab Dispos

Ligand: ticlopidine (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1991)
Primary target: no
Median affinity: 6.699999809265137 pIC50
Reference (Journal): Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.
Published in: Curr Drug Metab
Target family: CYP2 family: drug metabolising subset (type: enzyme)
Target: CYP2C18

Ligand: compound 9 [PMID: 11606127] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.519999980926514 pIC50
Reference (Journal): Synthesis of sulfaphenazole derivatives and their use as inhibitors and tools for comparing the active sites of human liver cytochromes P450 of the 2C subfamily.
Published in: J Med Chem
Target family: CYP2 family: drug metabolising subset (type: enzyme)
Target: CYP2C19

Ligand: compound 30 [PMID: 22239545] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 7.699999809265137 pKi
Reference (Journal): Ligand-based design of a potent and selective inhibitor of cytochrome P450 2C19.
Published in: J Med Chem

Ligand: compound 51 [Crosignani et al., 2011] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.289999961853027 pIC50
Reference (Journal): Discovery of a Novel Series of CRTH2 (DP2) Receptor Antagonists Devoid of Carboxylic Acids.
Published in: ACS Med Chem Lett

Ligand: UE2343 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.769999980926514 pIC50
Reference (Journal): Selection and early clinical evaluation of the brain-penetrant 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor UE2343 (Xanamem™).
Published in: Br J Pharmacol