dwb2023/gtopdb-target-family-interaction-detail huggingface dataset:
Target family: 3.6.1.3 ATPases (type: enzyme)
Target: ATPase family AAA domain containing 2

Ligand: compound 23 [PMID: 31398032] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.5 pIC50
Reference (Journal): A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification.
Published in: J Med Chem

Ligand: compound 33 [PMID: 26230603] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.300000190734863 pIC50
Reference (Journal): Structure-Based Optimization of Naphthyridones into Potent ATAD2 Bromodomain Inhibitors.
Published in: J Med Chem

Ligand: compound 57 [PMID: 26155854] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.900000095367432 pIC50
Reference (Journal): Fragment-Based Discovery of Low-Micromolar ATAD2 Bromodomain Inhibitors.
Published in: J Med Chem

Ligand: compound 60 [PMID: 26155854] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.900000095367432 pIC50
Reference (Journal): Fragment-Based Discovery of Low-Micromolar ATAD2 Bromodomain Inhibitors.
Published in: J Med Chem

Ligand: GSK8814 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.100000381469727 pKd
Reference (Journal): A Chemical Probe for the ATAD2 Bromodomain.
Published in: Angew Chem Int Ed Engl

Ligand: GSK8814 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.899999618530273 pKi
Reference (Journal): A Chemical Probe for the ATAD2 Bromodomain.
Published in: Angew Chem Int Ed Engl

Ligand: GSK8814 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 7.300000190734863 pIC50
Reference (Journal): A Chemical Probe for the ATAD2 Bromodomain.
Published in: Angew Chem Int Ed Engl
Target family: 3.6.1.3 ATPases (type: enzyme)
Target: ATPase family AAA domain containing 2B

Ligand: compound 23 [PMID: 31398032] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.300000190734863 pIC50
Reference (Journal): A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification.
Published in: J Med Chem
Target family: 3.6.1.3 ATPases (type: enzyme)
Target: ATPase family AAA domain containing 2

Ligand: AZ13824374 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.899999618530273 pKd
Reference (Journal): Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
Published in: J Med Chem

Ligand: AZ13824374 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.199999809265137 pIC50
Reference (Journal): Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
Published in: J Med Chem
Target family: 3.6.4.12 RecQ helicases family (type: enzyme)
Target: WRN RecQ like helicase

Ligand: VVD-133214 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.03000020980835 pIC50
Reference (Journal): Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Published in: Nature
Target family: 3.6.4.12 RecQ helicases family (type: enzyme)
Target: BLM RecQ like helicase

Ligand: AO/854 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5 pIC50
Reference (Journal): Discovery of a Novel Bloom's Syndrome Protein (BLM) Inhibitor Suppressing Growth and Metastasis of Prostate Cancer.
Published in: Int J Mol Sci

Ligand: compound 21 [PMID: 36459756] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.099999904632568 pIC50
Reference (Journal): Design, synthesis and evaluation of N3-substituted quinazolinone derivatives as potential Bloom's Syndrome protein (BLM) helicase inhibitor for sensitization treatment of colorectal cancer.
Published in: Eur J Med Chem

Ligand: compound 21 [PMID: 36459756] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.639999866485596 pIC50
Reference (Journal): Design, synthesis and evaluation of N3-substituted quinazolinone derivatives as potential Bloom's Syndrome protein (BLM) helicase inhibitor for sensitization treatment of colorectal cancer.
Published in: Eur J Med Chem

Ligand: compound 2 [PMID: 33647232] (Synthetic organic)
Interaction type: Allosteric modulator
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.659999847412109 pIC50
Reference (Journal): Uncovering an allosteric mode of action for a selective inhibitor of human Bloom syndrome protein.
Published in: Elife

Ligand: compound 9h [PMID: 32697083] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.119999885559082 pKd
Reference (Journal): Design, Synthesis, and Evaluation of New Quinazolinone Derivatives that Inhibit Bloom Syndrome Protein (BLM) Helicase, Trigger DNA Damage at the Telomere Region, and Synergize with PARP Inhibitors.
Published in: J Med Chem

Ligand: ML216 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.739999771118164 pIC50
Reference (Journal): Synthesis and SAR studies of 5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine derivatives as potent inhibitors of Bloom helicase.
Published in: Bioorg Med Chem Lett
Target family: 3.6.4.12 RecQ helicases family (type: enzyme)
Target: WRN RecQ like helicase

Ligand: compound 6 [PMID: 38134034] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.909999847412109 pIC50
Reference (Journal): Using a Function-First "Scout Fragment"-Based Approach to Develop Allosteric Covalent Inhibitors of Conformationally Dynamic Helicase Mechanoenzymes.
Published in: J Am Chem Soc

Ligand: H3B-960 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.659999847412109 pIC50
Reference (Journal): Identification of 2-Sulfonyl/Sulfonamide Pyrimidines as Covalent Inhibitors of WRN Using a Multiplexed High-Throughput Screening Assay.
Published in: Biochemistry

Ligand: H3B-960 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.489999771118164 pKi
Reference (Journal): Identification of 2-Sulfonyl/Sulfonamide Pyrimidines as Covalent Inhibitors of WRN Using a Multiplexed High-Throughput Screening Assay.
Published in: Biochemistry

Ligand: H3B-968 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8 pIC50
Reference (Journal): Identification of 2-Sulfonyl/Sulfonamide Pyrimidines as Covalent Inhibitors of WRN Using a Multiplexed High-Throughput Screening Assay.
Published in: Biochemistry

Ligand: HRO761 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7 pIC50
Reference (Patent): Triazolo-pyrimidine analogues for treating diseases connected to the inhibiton of werner syndrome recq helicase (wrn)

Ligand: ML216 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.570000171661377 pIC50
Reference (Journal): Synthesis and SAR studies of 5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine derivatives as potent inhibitors of Bloom helicase.
Published in: Bioorg Med Chem Lett

Ligand: VVD-133214 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.889999866485596 pIC50
Reference (Journal): Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Published in: Nature
Target family: 3A. Estrogen receptors (type: nhr)
Target: Estrogen receptor-&alpha;

Ligand: diethylstilbestrol (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: yes
Approval source: FDA (1973)
Primary target: yes
Median affinity: 10.399999618530273 pKi
Reference (Journal): Comparison of the ligand binding specificity and transcript tissue distribution of estrogen receptors alpha and beta.
Published in: Endocrinology
Target family: 3B. Estrogen-related receptors (type: nhr)
Target: Estrogen-related receptor-&beta;

Ligand: biochanin A (Natural product)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity:  -
Reference (Journal): Flavone and isoflavone phytoestrogens are agonists of estrogen-related receptors.
Published in: Mol Cancer Res

Ligand: daidzein (Natural product)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity:  -
Reference (Journal): Flavone and isoflavone phytoestrogens are agonists of estrogen-related receptors.
Published in: Mol Cancer Res

Ligand: diethylstilbestrol (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: yes
Approval source: FDA (1973)
Primary target: no
Median affinity:  pIC50
Reference (Journal): Diethylstilbestrol regulates trophoblast stem cell differentiation as a ligand of orphan nuclear receptor ERR beta.
Published in: Genes Dev

Ligand: DY131 (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity:  -
Reference (Journal): Identification of an agonist ligand for estrogen-related receptors ERRbeta/gamma.
Published in: Bioorg Med Chem Lett

Ligand: genistein (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity:  -
Reference (Journal): Flavone and isoflavone phytoestrogens are agonists of estrogen-related receptors.
Published in: Mol Cancer Res
Target family: 3B. Estrogen-related receptors (type: nhr)
Target: Estrogen-related receptor-&gamma;

Ligand: 4-hydroxytamoxifen (Synthetic organic)
Interaction type: Agonist
Action: Inverse agonist
Ligand approved: no
Primary target: no
Median affinity: 7.889999866485596 pIC50
Reference (Journal): Structure-guided synthesis of tamoxifen analogs with improved selectivity for the orphan ERRgamma.
Published in: Bioorg Med Chem Lett

Ligand: 4-hydroxytamoxifen (Synthetic organic)
Interaction type: Agonist
Action: Inverse agonist
Ligand approved: no
Primary target: no
Median affinity: 7.460000038146973 pKd
Reference (Journal): 4-Hydroxytamoxifen binds to and deactivates the estrogen-related receptor gamma.
Published in: Proc Natl Acad Sci USA

Ligand: biochanin A (Natural product)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity:  -
Reference (Journal): Flavone and isoflavone phytoestrogens are agonists of estrogen-related receptors.
Published in: Mol Cancer Res

Ligand: daidzein (Natural product)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity:  -
Reference (Journal): Flavone and isoflavone phytoestrogens are agonists of estrogen-related receptors.
Published in: Mol Cancer Res

Ligand: diethylstilbestrol (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: yes
Approval source: FDA (1973)
Median affinity:  pIC50
Reference (Journal): 4-Hydroxytamoxifen binds to and deactivates the estrogen-related receptor gamma.
Published in: Proc Natl Acad Sci USA

Ligand: diethylstilbestrol (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: yes
Approval source: FDA (1973)
Median affinity:  pIC50
Reference (Journal): Diethylstilbestrol regulates trophoblast stem cell differentiation as a ligand of orphan nuclear receptor ERR beta.
Published in: Genes Dev

Ligand: DY131 (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity: 6.2 pIC50
Reference (Journal): Identification of an agonist ligand for estrogen-related receptors ERRbeta/gamma.
Published in: Bioorg Med Chem Lett

Ligand: DY131 (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity: 6.2 pIC50
Reference (Journal): Identification and structure-activity relationship of phenolic acyl hydrazones as selective agonists for the estrogen-related orphan nuclear receptors ERRbeta and ERRgamma.
Published in: J Med Chem

Ligand: genistein (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity:  -
Reference (Journal): Flavone and isoflavone phytoestrogens are agonists of estrogen-related receptors.
Published in: Mol Cancer Res

Ligand: GSK4716 (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity: 5.7 pIC50
Reference (Journal): Identification and structure-activity relationship of phenolic acyl hydrazones as selective agonists for the estrogen-related orphan nuclear receptors ERRbeta and ERRgamma.
Published in: J Med Chem
Target family: 3B. Estrogen-related receptors (type: nhr)
Target: Estrogen-related receptor-&alpha;

Ligand: biochanin A (Natural product)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity:  -
Reference (Journal): Flavone and isoflavone phytoestrogens are agonists of estrogen-related receptors.
Published in: Mol Cancer Res
Target family: 3B. Estrogen-related receptors (type: nhr)
Target: Estrogen-related receptor-&gamma;

Ligand: GSK5182 (Synthetic organic)
Interaction type: Agonist
Action: Inverse agonist
Ligand approved: no
Primary target: yes
Median affinity: 7.099999904632568 pIC50
Reference (Journal): Structure-guided synthesis of tamoxifen analogs with improved selectivity for the orphan ERRgamma.
Published in: Bioorg Med Chem Lett
Target family: 3B. Estrogen-related receptors (type: nhr)
Target: Estrogen-related receptor-&alpha;

Ligand: chlordane (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Median affinity:  -
Reference (Journal): Two organochlorine pesticides, toxaphene and chlordane, are antagonists for estrogen-related receptor alpha-1 orphan receptor.
Published in: Cancer Res

Ligand: compound 1a [PMID: 17556356] (Synthetic organic)
Interaction type: Antagonist
Action: Inverse agonist
Ligand approved: no
Primary target: no
Median affinity: 6.699999809265137 pIC50
Reference (Journal): Crystal structure of human estrogen-related receptor alpha in complex with a synthetic inverse agonist reveals its novel molecular mechanism.
Published in: J Biol Chem

Ligand: daidzein (Natural product)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity:  -
Reference (Journal): Flavone and isoflavone phytoestrogens are agonists of estrogen-related receptors.
Published in: Mol Cancer Res

Ligand: diethylstilbestrol (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: yes
Approval source: FDA (1973)
Primary target: no
Median affinity:  pIC50
Reference (Journal): Diethylstilbestrol regulates trophoblast stem cell differentiation as a ligand of orphan nuclear receptor ERR beta.
Published in: Genes Dev

Ligand: genistein (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity:  -
Reference (Journal): Flavone and isoflavone phytoestrogens are agonists of estrogen-related receptors.
Published in: Mol Cancer Res

Ligand: toxaphene (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Median affinity:  -
Reference (Journal): Two organochlorine pesticides, toxaphene and chlordane, are antagonists for estrogen-related receptor alpha-1 orphan receptor.
Published in: Cancer Res

Ligand: XCT790 (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity:  pIC50
Reference (Journal): Regulation of PPARgamma coactivator 1alpha (PGC-1alpha) signaling by an estrogen-related receptor alpha (ERRalpha) ligand.
Published in: Proc Natl Acad Sci USA
Target family: 3C. 3-Ketosteroid receptors (type: nhr)
Target: Glucocorticoid receptor

Ligand: dagrocorat (Synthetic organic)
Interaction type: Agonist
Action: Partial agonist
Ligand approved: no
Primary target: no
Median affinity: 8.880000114440918 pIC50
Reference (Patent): Tricyclic compounds, compositions, and methods
Target family: 4A. Nerve growth factor IB-like receptors (type: nhr)
Target: Nuclear receptor related 1

Ligand: compound 108 [PMID: 37918435] (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 5.150000095367432 pEC50
Reference (Journal): Exploring Fatty Acid Mimetics as NR4A Ligands.
Published in: J Med Chem

Ligand: compound 111 [PMID: 37918435] (Synthetic organic)
Interaction type: Agonist
Action: Binding
Ligand approved: no
Primary target: no
Median affinity: 6.769999980926514 pKd
Reference (Journal): Exploring Fatty Acid Mimetics as NR4A Ligands.
Published in: J Med Chem

Ligand: compound 111 [PMID: 37918435] (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 7.050000190734863 pEC50
Reference (Journal): Exploring Fatty Acid Mimetics as NR4A Ligands.
Published in: J Med Chem

Ligand: compound 29 [Vietor, et al., 2023] (Synthetic organic)
Interaction type: Agonist
Action: Activation
Ligand approved: no
Primary target: no
Median affinity: 6.960000038146973 pEC50
Reference (Journal): Development of a Potent Nurr1 Agonist Tool for In Vivo Applications
Published in: J Med Chem

Ligand: vidofludimus (Synthetic organic)
Interaction type: Agonist
Action: Activation
Ligand approved: no
Primary target: no
Median affinity: 6.400000095367432 pEC50
Reference (Journal): Development of a Potent Nurr1 Agonist Tool for In Vivo Applications
Published in: J Med Chem
Target family: 4A. Nerve growth factor IB-like receptors (type: nhr)
Target: Nerve Growth factor IB

Ligand: compound 111 [PMID: 37918435] (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 7.400000095367432 pEC50
Reference (Journal): Exploring Fatty Acid Mimetics as NR4A Ligands.
Published in: J Med Chem
Target family: 4A. Nerve growth factor IB-like receptors (type: nhr)
Target: Neuron-derived orphan receptor 1

Ligand: compound 111 [PMID: 37918435] (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 6.820000171661377 pEC50
Reference (Journal): Exploring Fatty Acid Mimetics as NR4A Ligands.
Published in: J Med Chem
Target family: 5A. Fushi tarazu F1-like receptors (type: nhr)
Target: Liver receptor homolog-1

Ligand: RJW100 (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 5.820000171661377 pEC50
Reference (Journal): Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
Published in: J Med Chem

Ligand: RJW100 (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 6.599999904632568 pEC50
Reference (Journal): Small molecule agonists of the orphan nuclear receptors steroidogenic factor-1 (SF-1, NR5A1) and liver receptor homologue-1 (LRH-1, NR5A2).
Published in: J Med Chem
Target family: 5A. Fushi tarazu F1-like receptors (type: nhr)
Target: Steroidogenic factor 1

Ligand: RJW100 (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 7.5 pEC50
Reference (Journal): Small molecule agonists of the orphan nuclear receptors steroidogenic factor-1 (SF-1, NR5A1) and liver receptor homologue-1 (LRH-1, NR5A2).
Published in: J Med Chem
Target family: 5A. Fushi tarazu F1-like receptors (type: nhr)
Target: Liver receptor homolog-1

Ligand: compound 6N [PMID: 31419141] (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 7.820000171661377 pEC50
Reference (Journal): Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
Published in: J Med Chem
Target family: 5-Hydroxytryptamine receptors (type: gpcr)
Target: 5-ht<sub>1e</sub> receptor

Ligand: dihydroergotamine (Synthetic organic)
Interaction type: Agonist
Action: Full agonist
Ligand approved: yes
Approval source: FDA (1997)
Median affinity: 5.6 pKi
Reference (Journal): Two amino acid differences in the sixth transmembrane domain are partially responsible for the pharmacological differences between the 5-HT1D beta and 5-HT1E 5-hydroxytryptamine receptors.
Published in: J Neurochem
Target family: 5-Hydroxytryptamine receptors (type: gpcr)
Target: 5-ht<sub>5b</sub> receptor

Ligand: [125I]LSD (Synthetic organic)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Primary target: no
Median affinity: 9.329999923706055 pKd
Reference (Journal): Mouse 5-hydroxytryptamine5A and 5-hydroxytryptamine5B receptors define a new family of serotonin receptors: cloning, functional expression, and chromosomal localization.
Published in: Mol Pharmacol

Ligand: [3H]5-CT (Synthetic organic)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Putative 5-ht5 receptors: localization in the mouse CNS and lack of effect in the inhibition of dural protein extravasation.
Published in: Ann N Y Acad Sci
Target family: 5.-.-.- Isomerases (type: enzyme)
Target: hydroxy-delta-5-steroid dehydrogenase, 3 beta- and steroid delta-isomerase 2

Ligand: trilostane (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (date of approval not specified)
Primary target: yes
Median affinity: 8.399999618530273 pIC50
Reference (Journal): Inhibition of human placental progesterone synthesis and aromatase activity by synthetic steroidogenic inhibitors in vitro.
Published in: Fertil Steril
Target family: 6.3.3.- Cyclo-ligases (type: enzyme)
Target: phosphoribosylglycinamide formyltransferase, phosphoribosylglycinamide synthetase, phosphoribosylaminoimidazole synthetase

Ligand: pemetrexed (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2004), EMA (2009)
Primary target: no
Median affinity: 5.03000020980835 pKi
Reference (Journal): Multiple folate enzyme inhibition: mechanism of a novel pyrrolopyrimidine-based antifolate LY231514 (MTA).
Published in: Adv Enzyme Regul
Target family: A1: Pepsin (type: enzyme)
Target: beta-secretase 2

Ligand: compound 3 [PMID: 27347366] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 10.510000228881836 pKi
Reference (Journal): Design of Potent and Highly Selective Inhibitors for Human β-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes.
Published in: Chem Sci

Ligand: example 2 [WO2013004676] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.699999809265137 pIC50
Reference (Journal): Cyclopropyl-Fused 1,3-Thiazepines as BACE1 and BACE2 Inhibitors.
Published in: ACS Med Chem Lett