apalutamide [Ligand Id: 9043] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL3183409 (Apalutamida, Apalutamide, Arn-509, ARN-509, Erleada, JNJ-56021927) |
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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 | Displacement of [3H]-mibolerone from recombinant wild-type GST-tagged androgen receptor LBD (unknown origin) after 16 hrs by scintillation counting analysis | B | 5.84 | pKi | 1452 | nM | Ki | J Med Chem (2019) 62: 491-511 [PMID:30525603] |
| ChEMBL | Inhibition of androgen receptor (unknown origin) | B | 7.03 | pKi | 93 | nM | Ki | Eur J Med Chem (2020) 205: 112667-112667 [PMID:32911308] |
| ChEMBL | Antagonist activity at androgen receptor (unknown origin) | B | 7.46 | pKi | 34.7 | nM | Ki | Eur J Med Chem (2015) 99: 51-66 [PMID:26046313] |
| ChEMBL | Inhibition of androgen receptor (unknown origin) | B | 6.7 | pIC50 | 200 | nM | IC50 | Eur J Med Chem (2020) 205: 112667-112667 [PMID:32911308] |
| GtoPdb | Antagonism of testosterone-induced activation of wtAR determined using AR-HEK293 cells and a luciferase reporter system.. | - | 6.7 | pIC50 | 200 | nM | IC50 | Sci Rep (2015) 5: 12007 [PMID:26137992] |
| ChEMBL | Antagonist activity at recombinant human AR expressed in HEK293 cells assessed as inhibition of R1881-induced transcriptional activity measured after 24 hrs by dual luciferase reporter gene assay | B | 6.8 | pIC50 | 160 | nM | IC50 | J Med Chem (2020) 63: 12642-12665 [PMID:33095584] |
| GtoPdb | - | - | 6.91 | pIC50 | 122 | nM | IC50 | J Med Chem (2010) 53: 2779-96 [PMID:20218717] |
| ChEMBL | Displacement of [3H]-R1881 from AR in human LNCaP cells preincubated for 30 mins followed by [3H]-R1881 addition measured after 30 mins by microbeta scintillation counter method | B | 7.79 | pIC50 | 16.25 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 2803-2806 [PMID:28478926] |
| ChEMBL | Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of R1881-induced receptor transactivation after 24 hrs by luciferase reporter gene assay | B | 7.8 | pIC50 | 16 | nM | IC50 | J Med Chem (2019) 62: 491-511 [PMID:30525603] |
| Androgen receptor/Androgen Receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207] | ||||||||
| ChEMBL | Displacement of [3H]-MIB from wild-type rat AR LBD measured after 16 hrs by scintillation counting method | B | 5.84 | pKi | 1452 | nM | Ki | J Med Chem (2020) 63: 12642-12665 [PMID:33095584] |
| GtoPdb | Binding affinity measured in competition with [3H]mibolerone using wtAR isolated from rat ventral prostates. | - | 7.03 | pKi | 93 | nM | Ki | Sci Rep (2015) 5: 12007 [PMID:26137992] |
| GABAA receptor π subunit/GABAA receptor δ subunit/GABAA receptor α1 subunit/GABAA receptor β1 subunit/GABAA receptor γ2 subunit/GABAA receptor β3 subunit/GABAA receptor α5 subunit/GABAA receptor α3 subunit/GABAA receptor α2 subunit/GABAA receptor β2 subunit/GABAA receptor α4 subunit/GABAA receptor ε subunit/GABAA receptor α6 subunit/GABAA receptor γ1 subunit/GABAA receptor γ3 subunit/GABAA receptor θ subunit/GABA-A receptor; anion channel in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2093872] [GtoPdb: 419, 416, 404, 410, 414, 412, 408, 406, 405, 411, 407, 417, 409, 413, 415, 418] [UniProtKB: O00591, O14764, P14867, P18505, P18507, P28472, P31644, P34903, P47869, P47870, P48169, P78334, Q16445, Q8N1C3, Q99928, Q9UN88] | ||||||||
| ChEMBL | Binding affinity to GABA A receptor (unknown origin) | B | 5.52 | pIC50 | 3000 | nM | IC50 | J Med Chem (2022) 65: 8772-8797 [PMID:35786895] |
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]
