ChEMBL ligand: CHEMBL201013
Estrogen receptor-α/Estrogen receptor in Human [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372] There should be some charts here, you may need to enable JavaScript!
Estrogen-related receptor-γ/Estrogen-related receptor gamma in Human [ChEMBL: CHEMBL4245] [GtoPdb: 624] [UniProtKB: P62508] Estrogen-related receptor-γ/Estrogen-related receptor gamma in Mouse [ChEMBL: CHEMBL3585238] [GtoPdb: 624] [UniProtKB: P62509] There should be some charts here, you may need to enable JavaScript!
Estrogen-related receptor-α/Steroid hormone receptor ERR1 in Human [ChEMBL: CHEMBL3429] [GtoPdb: 622] [UniProtKB: P11474] There should be some charts here, you may need to enable JavaScript!
Estrogen-related receptor-β/Steroid hormone receptor ERR2 in Human [ChEMBL: CHEMBL3751] [GtoPdb: 623] [UniProtKB: O95718] There should be some charts here, you may need to enable JavaScript!
Kv11.1/Voltage-gated inwardly rectifying potassium channel KCNH2 in Human [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] 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 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372]
ChEMBL	Binding affinity to GST-tagged ERalpha LBD (unknown origin) using fluorescein PGC1alpha as coactivator incubated for 1 hr by LanthaScreen TR-FRET co-regulator assay	B	5.59	pIC50	2590	nM	IC50	J Med Chem (2016) 59: 10209-10227 [PMID:27805390]
ChEMBL	Binding affinity to ERalpha (unknown origin) by TR-FRET assay	B	5.7	pIC50	2000	nM	IC50	Eur J Med Chem (2020) 205: 112501-112501 [PMID:32758860]
ChEMBL	Binding Assay: ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluorescein-conjugated coactivator PGC1a was 250 nM, and all experiments other than that was the same as the ERR gamma binding assay.In an ER alpha binding assay, a GST-bound ER alpha ligand-binding domain (LBD) was added to a 384 well plate to which the arylethene derivative of the present invention was added to a final concentration of 7.3 nM. Then, a fluorescein-conjugated coactivator PGC1a and a Tb-a-GST antibody were added to 250 nM and 5 nM, respectively, and beta-estradiol as an agonist was added to a final concentration of 4 nM. All subsequent experiments was the same as the ERR gamma binding assay.	B	5.7	pIC50	2000	nM	IC50	US-10934303-B2. Aryl ethene derivative and pharmaceutical composition containing same as active ingredient (2021)
ChEMBL	Binding Assay: In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, and all experiments other than that was the same as the ERR gamma binding assay.In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluorescein-conjugated coactivator PGC1a was 250 nM, and all experiments other than that was the same as the ERR gamma binding assay.In an ER alpha binding assay, a GST-bound ER alpha ligand-binding domain (LBD) was added to a 384 well plate to which the arylethene derivative of the present invention was added to a final concentration of 7.3 nM. Then, a fluorescein-conjugated coactivator PGC1a and a Tb-a-GST antibody were added to 250 nM and 5 nM, respectively, and beta-estradiol as an agonist was added to a final concentration of 4 nM. All subsequent experiments was the same as the ERR gamma binding assay.	B	5.7	pIC50	2000	nM	IC50	US-11285226-B2. Aryl ethene derivative and pharmaceutical composition containing same as active ingredient (2022)
GtoPdb	-	-	6.49	pIC50	320	nM	IC50	Bioorg Med Chem Lett (2006) 16: 821-4 [PMID:16307879]
ChEMBL	Displacement of [3H]estradiol from ERalpha	B	6.49	pIC50	320	nM	IC50	Bioorg Med Chem Lett (2006) 16: 821-824 [PMID:16307879]
Estrogen-related receptor-γ/Estrogen-related receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4245] [GtoPdb: 624] [UniProtKB: P62508]
ChEMBL	Binding affinity to ERR-gamma LBD (unknown origin) assessed as dissociation constant by ITC analysis	B	4.87	pKd	13600	nM	Kd	Eur J Med Chem (2023) 250: 115174-115174 [PMID:36805944]
ChEMBL	Inhibition of interaction between ERRgamma and NR cofactor RIP140 in FRET assay	F	6.6	pIC50	250	nM	IC50	Bioorg Med Chem Lett (2006) 16: 821-824 [PMID:16307879]
ChEMBL	Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein PGC1alpha as coactivator incubated for 1 hr by LanthaScreen TR-FRET co-regulator assay	B	6.96	pIC50	110	nM	IC50	J Med Chem (2016) 59: 10209-10227 [PMID:27805390]
ChEMBL	Binding affinity to ERRgamma (unknown origin) by TR-FRET assay	B	6.96	pIC50	110	nM	IC50	Eur J Med Chem (2020) 205: 112501-112501 [PMID:32758860]
ChEMBL	Binding Assay: ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a final concentration of two-fold dilution. Then, a GST-bound ERR gamma ligand-binding domain (LBD) was added to a final concentration of 5 nM, and a fluorescein-conjugated coactivator PGC1a and a Tb-a-GST antibody were added to 500 nM and 5 nM, respectively. After all reagents were added, a reaction was carried out with gentle shaking at 20° C. for 1 hour, and after the reaction, a binding activity was measured by a TR-FRET method. That is, excitation at 340 nm was performed, each emission value at 495 nm and 520 nm was measured, the result assay was a value measured at 490 nm/a value measured at 520 nm, and an analysis program was Prism 6.	B	6.97	pIC50	107	nM	IC50	US-10934303-B2. Aryl ethene derivative and pharmaceutical composition containing same as active ingredient (2021)
ChEMBL	Binding Assay: In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, and all experiments other than that was the same as the ERR gamma binding assay.In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluorescein-conjugated coactivator PGC1a was 250 nM, and all experiments other than that was the same as the ERR gamma binding assay.In an ER alpha binding assay, a GST-bound ER alpha ligand-binding domain (LBD) was added to a 384 well plate to which the arylethene derivative of the present invention was added to a final concentration of 7.3 nM. Then, a fluorescein-conjugated coactivator PGC1a and a Tb-a-GST antibody were added to 250 nM and 5 nM, respectively, and beta-estradiol as an agonist was added to a final concentration of 4 nM. All subsequent experiments was the same as the ERR gamma binding assay.	B	6.97	pIC50	107	nM	IC50	US-11285226-B2. Aryl ethene derivative and pharmaceutical composition containing same as active ingredient (2022)
GtoPdb	-	-	7.1	pIC50	79	nM	IC50	Bioorg Med Chem Lett (2006) 16: 821-4 [PMID:16307879]
ChEMBL	Displacement of [3H]4-OHT from ERRgamma	B	7.1	pIC50	79	nM	IC50	Bioorg Med Chem Lett (2006) 16: 821-824 [PMID:16307879]
ChEMBL	Inverse agonist activity at ERRgamma (unknown origin) by luciferase reporter gene assay	B	7.11	pIC50	77	nM	IC50	Eur J Med Chem (2020) 205: 112501-112501 [PMID:32758860]
Estrogen-related receptor-γ/Estrogen-related receptor gamma in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3585238] [GtoPdb: 624] [UniProtKB: P62509]
ChEMBL	Inverse agonist activity at GAL4-DNA binding domain-fused mouse ERRgamma ligand binding domain expressed in African green monkey CV1 cells assessed as decrease in receptor transcriptional activity after 45 hrs by luciferase reporter gene assay	B	5.57	pIC50	2700	nM	IC50	Bioorg Med Chem (2017) 25: 1585-1599 [PMID:28189393]
ChEMBL	Inverse agonist activity at Gal4-tagged mouse ERR-gamma LBD transfected in HEK293T cells co-expressing FR-luc assessed as inhibition of transcriptional activity incubated for 24 hrs by luciferase reporter gene assay	B	8.1	pIC50	7.92	nM	IC50	Eur J Med Chem (2023) 250: 115174-115174 [PMID:36805944]
Estrogen-related receptor-α/Steroid hormone receptor ERR1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3429] [GtoPdb: 622] [UniProtKB: P11474]
ChEMBL	Binding affinity to GST-tagged ERRalpha LBD (unknown origin) using fluorescein PGC1alpha as coactivator incubated for 1 hr by LanthaScreen TR-FRET co-regulator assay	B	5	pIC50	>10000	nM	IC50	J Med Chem (2016) 59: 10209-10227 [PMID:27805390]
ChEMBL	Binding affinity to ERRalpha (unknown origin) by TR-FRET assay	B	5	pIC50	>10000	nM	IC50	Eur J Med Chem (2020) 205: 112501-112501 [PMID:32758860]
ChEMBL	Binding Assay: ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluorescein-conjugated coactivator PGC1a was 250 nM, and all experiments other than that was the same as the ERR gamma binding assay.In an ER alpha binding assay, a GST-bound ER alpha ligand-binding domain (LBD) was added to a 384 well plate to which the arylethene derivative of the present invention was added to a final concentration of 7.3 nM. Then, a fluorescein-conjugated coactivator PGC1a and a Tb-a-GST antibody were added to 250 nM and 5 nM, respectively, and beta-estradiol as an agonist was added to a final concentration of 4 nM. All subsequent experiments was the same as the ERR gamma binding assay.	B	5	pIC50	>10000	nM	IC50	US-10934303-B2. Aryl ethene derivative and pharmaceutical composition containing same as active ingredient (2021)
ChEMBL	Binding Assay: In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, and all experiments other than that was the same as the ERR gamma binding assay.In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluorescein-conjugated coactivator PGC1a was 250 nM, and all experiments other than that was the same as the ERR gamma binding assay.In an ER alpha binding assay, a GST-bound ER alpha ligand-binding domain (LBD) was added to a 384 well plate to which the arylethene derivative of the present invention was added to a final concentration of 7.3 nM. Then, a fluorescein-conjugated coactivator PGC1a and a Tb-a-GST antibody were added to 250 nM and 5 nM, respectively, and beta-estradiol as an agonist was added to a final concentration of 4 nM. All subsequent experiments was the same as the ERR gamma binding assay.	B	5	pIC50	>10000	nM	IC50	US-11285226-B2. Aryl ethene derivative and pharmaceutical composition containing same as active ingredient (2022)
Estrogen-related receptor-β/Steroid hormone receptor ERR2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3751] [GtoPdb: 623] [UniProtKB: O95718]
ChEMBL	Binding affinity to GST-tagged ERRbeta LBD (unknown origin) using fluorescein PGC1alpha as coactivator incubated for 1 hr by LanthaScreen TR-FRET co-regulator assay	B	5	pIC50	>10000	nM	IC50	J Med Chem (2016) 59: 10209-10227 [PMID:27805390]
ChEMBL	Binding affinity to ERRbeta (unknown origin) by TR-FRET assay	B	5	pIC50	>10000	nM	IC50	Eur J Med Chem (2020) 205: 112501-112501 [PMID:32758860]
ChEMBL	Binding Assay: In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, and all experiments other than that was the same as the ERR gamma binding assay.In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluorescein-conjugated coactivator PGC1a was 250 nM, and all experiments other than that was the same as the ERR gamma binding assay.In an ER alpha binding assay, a GST-bound ER alpha ligand-binding domain (LBD) was added to a 384 well plate to which the arylethene derivative of the present invention was added to a final concentration of 7.3 nM. Then, a fluorescein-conjugated coactivator PGC1a and a Tb-a-GST antibody were added to 250 nM and 5 nM, respectively, and beta-estradiol as an agonist was added to a final concentration of 4 nM. All subsequent experiments was the same as the ERR gamma binding assay.	B	5	pIC50	>10000	nM	IC50	US-11285226-B2. Aryl ethene derivative and pharmaceutical composition containing same as active ingredient (2022)
ChEMBL	Inverse agonist activity at GAL4-DNA binding domain-fused human ERRbeta ligand binding domain expressed in African green monkey CV1 cells assessed as decrease in receptor transcriptional activity after 45 hrs by luciferase reporter gene assay	B	5.46	pIC50	3500	nM	IC50	Bioorg Med Chem (2017) 25: 1585-1599 [PMID:28189393]
Kv11.1/Voltage-gated inwardly rectifying potassium channel KCNH2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL	Inhibition of human ERG measured after 4 hrs by fluorescence polarization assay	B	4.52	pIC50	>30000	nM	IC50	J Med Chem (2016) 59: 10209-10227 [PMID:27805390]
ChEMBL	Inhibition of human ERG by fluorescence polarization assay	B	4.52	pIC50	>30000	nM	IC50	Eur J Med Chem (2020) 205: 112501-112501 [PMID:32758860]

ChEMBL data shown on this page come from version 36:

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]