HPTE [Ligand Id: 2827] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL196585 (SJ000143975)
  • Androgen receptor/Androgen Receptor in Rat [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207]
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  • Estrogen receptor-α/Estrogen receptor alpha in Human [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372]
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  • Estrogen receptor-β/Estrogen receptor beta in Human [ChEMBL: CHEMBL242] [GtoPdb: 621] [UniProtKB: Q92731]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Androgen receptor/Androgen Receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207]
ChEMBL Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881) B 5.04 pIC50 9120.11 nM IC50 J Med Chem (2005) 48: 5666-5674 [PMID:16134935]
Estrogen receptor-α/Estrogen receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372]
ChEMBL Displacement of [3H]17-beta estradiol from GST-fused human recombinant ERalpha ligand binding domain expressed in Escherichia coli BL21alpha cells incubated for 1 hr by liquid scintillation counting method B 7.36 pIC50 43.4 nM IC50 Bioorg Med Chem (2020) 28: 115274-115274 [PMID:31879182]
ChEMBL Agonist activity at ERalpha (unknown origin) expressed in human HeLa cells assessed as transcriptional activation measured after 24 hrs by luciferase reporter gene assay B 7.51 pEC50 30.7 nM EC50 Bioorg Med Chem (2020) 28: 115274-115274 [PMID:31879182]
Estrogen receptor-β/Estrogen receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL242] [GtoPdb: 621] [UniProtKB: Q92731]
ChEMBL Antagonist activity at ERbeta (unknown origin) expressed in human HeLa cells assessed as inhibition of E2-induced transcriptional activity measured after 24 hrs by luciferase reporter gene assay based Schild plot analysis B 7.95 pKd 11.22 nM Kd Bioorg Med Chem (2020) 28: 115274-115274 [PMID:31879182]
GtoPdb - - 7.64 pKi - - - Br J Pharmacol (1999) 126: 810-8 [PMID:10188995]
ChEMBL Antagonist activity at ERbeta (unknown origin) expressed in human HeLa cells assessed as inhibition of E2-induced transcriptional activity measured after 24 hrs by luciferase reporter gene assay based Schild plot analysis B 7.07 pIC50 85.4 nM IC50 Bioorg Med Chem (2020) 28: 115274-115274 [PMID:31879182]
ChEMBL Displacement of [3H]17-beta estradiol from GST-fused human recombinant ERbeta ligand binding domain expressed in Escherichia coli BL21alpha cells incubated for 1 hr by liquid scintillation counting method B 7.81 pIC50 15.4 nM IC50 Bioorg Med Chem (2020) 28: 115274-115274 [PMID:31879182]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL ST_JUDE: Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye F 5.4 pEC50 3953.4 nM EC50 Nature (2010) 465: 311-315 [PMID:20485428]
ChEMBL ST_JUDE: Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye F 5.44 pEC50 3596.9 nM EC50 Nature (2010) 465: 311-315 [PMID:20485428]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]