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ChEMBL ligand: CHEMBL334773 (2,3-Bis(4-Hydroxyphenyl)Propanenitrile, Diarylpropionitrile) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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Estrogen receptor-α/Estrogen receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372] | ||||||||
ChEMBL | Antagonist activity at estrogen receptor alpha (unknown origin) assessed as inhibition of estradiol-induced response after 22 hrs by cell-based luciferase reporter gene assay | B | 5 | pEC50 | >10000 | nM | EC50 | J Med Chem (2018) 61: 4720-4738 [PMID:29741891] |
ChEMBL | Agonist activity at estrogen receptor alpha (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay | B | 5.64 | pEC50 | 2300 | nM | EC50 | J Med Chem (2018) 61: 4720-4738 [PMID:29741891] |
ChEMBL | Agonist activity at human N-His6-tagged terbium-labelled ERalpha ligand binding domain expressed in Escherichia coli BL21 cells assessed as recruitment of fluorescein-labelled SRC3 after 1 hr by TR-FRET assay | B | 6.06 | pEC50 | 876 | nM | EC50 | J Med Chem (2012) 55: 528-537 [PMID:22122563] |
ChEMBL | Agonist activity at human ERalpha expressed in HEC-1 cells coexpressing beta-gal assessed as luciferase activity after 24 hrs by reporter gene assay | F | 6.52 | pEC50 | 304 | nM | EC50 | J Med Chem (2012) 55: 528-537 [PMID:22122563] |
ChEMBL | Agonist activity at human ERalpha expressed in U2OS cells coexpressing pCMX-hSRC3 assessed as luciferase activity after 24 hrs by reporter gene assay | F | 6.68 | pEC50 | 208 | nM | EC50 | J Med Chem (2012) 55: 528-537 [PMID:22122563] |
GtoPdb | - | - | 7.18 | pEC50 | 66 | nM | EC50 | Brain Res (2009) 1290: 1-11 [PMID:19596275] |
ChEMBL | Agonist activity at ERalpha expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter gene assay | F | 7.18 | pEC50 | 66 | nM | EC50 | Eur J Med Chem (2009) 44: 3412-3424 [PMID:19286283] |
ChEMBL | Transcriptional potency (EC50) at Human estrogen receptor alpha | B | 7.7 | pEC50 | 20 | nM | EC50 | J Med Chem (2001) 44: 4230-4251 [PMID:11708925] |
ChEMBL | Agonist activity at human N-His6-tagged terbium-labelled NRID-SRC3 of ERalpha ligand binding domain expressed in Escherichia coli BL21 cells after 1 hr by TR-FRET assay | B | 8.47 | pEC50 | 3.4 | nM | EC50 | J Med Chem (2012) 55: 528-537 [PMID:22122563] |
Estrogen receptor-β/Estrogen receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL242] [GtoPdb: 621] [UniProtKB: Q92731] | ||||||||
GtoPdb | - | - | 8.6 | pKi | - | - | - |
J Med Chem (2000) 43: 4934-47 [PMID:11150164]; J Med Chem (2001) 44: 4230-51 [PMID:11708925] |
ChEMBL | Antagonist activity at estrogen receptor beta (unknown origin) assessed as inhibition of estradiol-induced response after 22 hrs by cell-based luciferase reporter gene assay | B | 5 | pEC50 | >10000 | nM | EC50 | J Med Chem (2018) 61: 4720-4738 [PMID:29741891] |
ChEMBL | Estrogenic activity at ERbeta (unknown origin) expressed in human MDA-MB-231/beta41 cells after 18 hrs by renilla luciferase reporter gene assay | B | 7.7 | pEC50 | 20 | nM | EC50 | J Nat Prod (2018) 81: 966-975 [PMID:29641206] |
ChEMBL | Agonist activity at human N-His6-tagged terbium-labelled ERbeta ligand binding domain expressed in Escherichia coli BL21 cells assessed as recruitment of fluorescein-labelled SRC3 after 1 hr by TR-FRET assay | B | 7.78 | pEC50 | 16.7 | nM | EC50 | J Med Chem (2012) 55: 528-537 [PMID:22122563] |
ChEMBL | Transcriptional potency (EC50) at Human estrogen receptor Beta | B | 8.22 | pEC50 | 6 | nM | EC50 | J Med Chem (2001) 44: 4230-4251 [PMID:11708925] |
ChEMBL | Agonist activity at human ERbeta expressed in U2OS cells coexpressing pCMX-hSRC3 assessed as luciferase activity after 24 hrs by reporter gene assay | F | 8.43 | pEC50 | 3.7 | nM | EC50 | J Med Chem (2012) 55: 528-537 [PMID:22122563] |
ChEMBL | Agonist activity at human ERbeta expressed in HEC-1 cells coexpressing beta-gal assessed as luciferase activity after 24 hrs by reporter gene assay | F | 8.48 | pEC50 | 3.3 | nM | EC50 | J Med Chem (2012) 55: 528-537 [PMID:22122563] |
ChEMBL | Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay | B | 8.72 | pEC50 | 1.9 | nM | EC50 | J Med Chem (2018) 61: 4720-4738 [PMID:29741891] |
ChEMBL | Agonist activity at estrogen receptor beta (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay | B | 8.96 | pEC50 | 1.1 | nM | EC50 | J Med Chem (2018) 61: 4720-4738 [PMID:29741891] |
GtoPdb | - | - | 9.07 | pEC50 | 0.85 | nM | EC50 | Brain Res (2009) 1290: 1-11 [PMID:19596275] |
ChEMBL | Agonist activity at ERbeta expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter gene assay | F | 9.07 | pEC50 | 0.85 | nM | EC50 | Eur J Med Chem (2009) 44: 3412-3424 [PMID:19286283] |
ChEMBL | Agonist activity at human ERbeta receptor expressed in HEK293T cells transfected with pGL4.27-(ERE)3-Luc assessed as transcriptional activation measured after 16 hrs by Dual-Glo luciferase assay | B | 9.09 | pEC50 | 0.82 | nM | EC50 | Bioorg Med Chem (2016) 24: 5895-5910 [PMID:27692995] |
ChEMBL | Agonist activity at human N-His6-tagged terbium-labelled NRID-SRC3 of ERbeta ligand binding domain expressed in Escherichia coli BL21 cells after 1 hr by TR-FRET assay | B | 9.15 | pEC50 | 0.71 | nM | EC50 | J Med Chem (2012) 55: 528-537 [PMID:22122563] |
ChEMBL data shown on this page come from version 32:
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]