bisphenol A [Ligand Id: 7865] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL418971
  • Androgen receptor/Androgen Receptor in Human [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275]
  • Androgen receptor/Androgen Receptor in Rat [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207]
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  • Arachidonate 15-lipoxygenase in Rabbit [ChEMBL: CHEMBL4358] [UniProtKB: P12530]
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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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  • Estrogen-related receptor-γ/Estrogen-related receptor gamma in Human [ChEMBL: CHEMBL4245] [GtoPdb: 624] [UniProtKB: P62508]
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  • NET/Norepinephrine transporter in Human [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975]
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  • RAR-related orphan receptor-γ/Nuclear receptor ROR-gamma in Human [ChEMBL: CHEMBL1741186] [GtoPdb: 600] [UniProtKB: P51449]
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  • Sarcoplasmic/endoplasmic reticulum calcium ATP-ase in Rabbit [ChEMBL: CHEMBL4693] [UniProtKB: P04191]
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  • SERCA2/Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 in Rat [ChEMBL: CHEMBL3585237] [GtoPdb: 841] [UniProtKB: P11507]
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  • 5-HT6 receptor/Serotonin 6 (5-HT6) receptor in Human [ChEMBL: CHEMBL3371] [GtoPdb: 11] [UniProtKB: P50406]
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  • SERT/Serotonin transporter in Human [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645]
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  • Cav2.2/Voltage-dependent N-type calcium channel subunit alpha-1B in Mouse [ChEMBL: CHEMBL3637936] [GtoPdb: 533] [UniProtKB: O55017]
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  • Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Mouse [ChEMBL: CHEMBL2529] [GtoPdb: 529] [UniProtKB: Q01815]
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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 Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275]
ChEMBL Antagonist activity at human pSG5-AR assessed as inhibition of dihydrotestosterone-induced effect by reporter gene assay B 5.23 pIC50 5900 nM IC50 Bioorg Med Chem Lett (2013) 23: 4031-4036 [PMID:23768907]
GtoPdb - - 5.23 pIC50 5900 nM IC50 Bioorg Med Chem Lett (2013) 23: 4031-6 [PMID:23768907]
Androgen receptor/Androgen Receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207]
ChEMBL DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) B 4.65 pKi 22531 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881) B 4.13 pIC50 74131.02 nM IC50 J Med Chem (2005) 48: 5666-5674 [PMID:16134935]
ChEMBL DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) B 4.47 pIC50 33796 nM IC50 DrugMatrix in vitro pharmacology data
Arachidonate 15-lipoxygenase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4358] [UniProtKB: P12530]
ChEMBL DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) B 5.88 pIC50 1304 nM IC50 DrugMatrix in vitro pharmacology data
DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959]
ChEMBL DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) B 4.82 pKi 15108 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) B 4.72 pIC50 19015 nM IC50 DrugMatrix in vitro pharmacology data
Estrogen receptor-α/Estrogen receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372]
ChEMBL DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) B 6.19 pKi 649 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcriptional activity by luciferase reporter gene assay B 5 pIC50 >10000 nM IC50 Bioorg Med Chem (2019) 27: 1952-1961 [PMID:30940565]
ChEMBL DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) B 5.64 pIC50 2271 nM IC50 DrugMatrix in vitro pharmacology data
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 6.04 pIC50 904 nM IC50 Bioorg Med Chem (2020) 28: 115274-115274 [PMID:31879182]
ChEMBL Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay B 6.3 pIC50 504 nM IC50 Bioorg Med Chem (2019) 27: 1952-1961 [PMID:30940565]
ChEMBL Agonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ER-alpha-mediated transcriptional activity by luciferase reporter gene assay B 5 pEC50 >10000 nM EC50 Bioorg Med Chem (2019) 27: 1952-1961 [PMID:30940565]
ChEMBL Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ERalpha degradation by luciferase reporter gene assay B 5.77 pEC50 1689 nM EC50 Bioorg Med Chem (2019) 27: 1952-1961 [PMID:30940565]
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 6.1 pEC50 797 nM EC50 Bioorg Med Chem (2020) 28: 115274-115274 [PMID:31879182]
ChEMBL Agonist activity at estrogen receptor in human MCF7 cells assessed as ERE-mediated transcriptional activity after 24 hrs by luciferase assay B 6.54 pEC50 290 nM EC50 Bioorg Med Chem Lett (2016) 26: 1844-1848 [PMID:26905830]
Estrogen receptor-β/Estrogen receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL242] [GtoPdb: 621] [UniProtKB: Q92731]
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 6.06 pIC50 870 nM IC50 Bioorg Med Chem (2020) 28: 115274-115274 [PMID:31879182]
ChEMBL Agonist activity at human Gal4-ERbeta by reporter gene assay B 5.96 pEC50 1100 nM EC50 Bioorg Med Chem Lett (2013) 23: 4031-4036 [PMID:23768907]
GtoPdb - - 5.96 pEC50 1100 nM EC50 Bioorg Med Chem Lett (2013) 23: 4031-6 [PMID:23768907]
ChEMBL Agonist activity at ERbeta (unknown origin) expressed in human HeLa cells assessed as transcriptional activation measured after 24 hrs by luciferase reporter gene assay B 6.12 pEC50 757 nM EC50 Bioorg Med Chem (2020) 28: 115274-115274 [PMID:31879182]
Estrogen-related receptor-γ/Estrogen-related receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4245] [GtoPdb: 624] [UniProtKB: P62508]
ChEMBL Binding affinity to human ERR gamma B 8.26 pKd 5.5 nM Kd Medchemcomm (2013) 4: 764-776
NET/Norepinephrine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975]
ChEMBL DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) B 4.78 pKi 16483 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) B 4.78 pIC50 16620 nM IC50 DrugMatrix in vitro pharmacology data
RAR-related orphan receptor-γ/Nuclear receptor ROR-gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1741186] [GtoPdb: 600] [UniProtKB: P51449]
ChEMBL Displacement of 25-[3H]hydroxycholesterol from ROR gamma (unknown origin) by competitive binding assay B 5 pIC50 >10000 nM IC50 Medchemcomm (2013) 4: 764-776
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4693] [UniProtKB: P04191]
ChEMBL Inhibition of rabbit skeletal muscle microsomes SERCA1a by enzyme-coupled method B 5.7 pIC50 2000 nM IC50 J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
SERCA2/Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3585237] [GtoPdb: 841] [UniProtKB: P11507]
ChEMBL Inhibition of rat cerebellar microsomes SERCA2b by enzyme-coupled method B 5.7 pIC50 2000 nM IC50 J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
5-HT6 receptor/Serotonin 6 (5-HT6) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3371] [GtoPdb: 11] [UniProtKB: P50406]
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) B 5.6 pKi 2516 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) B 5.27 pIC50 5420 nM IC50 DrugMatrix in vitro pharmacology data
SERT/Serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645]
ChEMBL DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) B 4.97 pKi 10798 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) B 4.69 pIC50 20325 nM IC50 DrugMatrix in vitro pharmacology data
Cav2.2/Voltage-dependent N-type calcium channel subunit alpha-1B in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3637936] [GtoPdb: 533] [UniProtKB: O55017]
ChEMBL Inhibition of Cav1.2 calcium current measured using in mouse dorsal root ganglion neuron F 4.46 pIC50 35000 nM IC50 IC50 data for the L-type calcium channel extracted from a set of literature articles
Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2529] [GtoPdb: 529] [UniProtKB: Q01815]
ChEMBL Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in mouse myocyte F 4.46 pIC50 35000 nM IC50 IC50 data for the L-type calcium channel extracted from a set of literature articles

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]