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ChEMBL ligand: CHEMBL418971 |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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]