Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
ChEMBL ligand: CHEMBL334773 (2,3-Bis(4-Hydroxyphenyl)Propanenitrile, Diarylpropionitrile) |
---|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
---|---|---|---|---|---|---|---|---|
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 | Agonist activity at human ER-beta transfected in HEC-1 cells assessed as transcriptional activation incubated for 24 hrs by dual luciferase reporter assay | B | 9.18 | pEC50 | 0.66 | nM | EC50 | Eur J Med Chem (2022) 241: 114658-114658 [PMID:35964426] |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]