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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 |
casein kinase 1 epsilon/Casein kinase I epsilon in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4937] [GtoPdb: 1998] [UniProtKB: P49674] | ||||||||
ChEMBL | Inhibition of recombinant human CK1epsilon expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
cyclin dependent kinase 5/Cyclin-dependent kinase 5/CDK5 activator 1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907600] [GtoPdb: 1977] [UniProtKB: Q00535, Q15078] | ||||||||
ChEMBL | Inhibition of recombinant human CDK5/p25 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
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 |
CDC like kinase 2/Dual specificity protein kinase CLK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4225] [GtoPdb: 1991] [UniProtKB: P49760] | ||||||||
ChEMBL | Inhibition of recombinant human CLK2 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
CDC like kinase 3/Dual specificity protein kinase CLK3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4226] [GtoPdb: 1992] [UniProtKB: P49761] | ||||||||
ChEMBL | Inhibition of recombinant human CLK3 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
CDC like kinase 4/Dual specificity protein kinase CLK4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4203] [GtoPdb: 1993] [UniProtKB: Q9HAZ1] | ||||||||
ChEMBL | Inhibition of recombinant human CLK4 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
dual specificity tyrosine phosphorylation regulated kinase 1A/Dual-specificity tyrosine-phosphorylation regulated kinase 1A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2292] [GtoPdb: 2009] [UniProtKB: Q13627] | ||||||||
ChEMBL | Inhibition of recombinant human DYRK1A expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
dual specificity tyrosine phosphorylation regulated kinase 1B/Dual specificity tyrosine-phosphorylation-regulated kinase 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5543] [GtoPdb: 2010] [UniProtKB: Q9Y463] | ||||||||
ChEMBL | Inhibition of recombinant human DYRK1B expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
dual specificity tyrosine phosphorylation regulated kinase 2/Dual-specificity tyrosine-phosphorylation regulated kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4376] [GtoPdb: 2011] [UniProtKB: Q92630] | ||||||||
ChEMBL | Inhibition of recombinant human DYRK2 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
dual specificity tyrosine phosphorylation regulated kinase 3/Dual-specificity tyrosine-phosphorylation regulated kinase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4575] [GtoPdb: 2012] [UniProtKB: O43781] | ||||||||
ChEMBL | Inhibition of recombinant human DYRK3 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
dual specificity tyrosine phosphorylation regulated kinase 4/Dual specificity tyrosine-phosphorylation-regulated kinase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075115] [GtoPdb: 2013] [UniProtKB: Q9NR20] | ||||||||
ChEMBL | Inhibition of recombinant human DYRK4 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
CDC like kinase 1/Dual specificty protein kinase CLK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4224] [GtoPdb: 1990] [UniProtKB: P49759] | ||||||||
ChEMBL | Inhibition of recombinant human CLK1 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
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 |
glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841] | ||||||||
ChEMBL | Inhibition of recombinant human GSK-3beta expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
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 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]