enzalutamide [Ligand Id: 6812] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1082407 (Enzalutamida, Enzalutamide, Mdv 3100, MDV-3100, MDV3100, Xtandi)
  • 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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  • kallikrein related peptidase 3/Prostate specific antigen in Human [ChEMBL: CHEMBL2099] [GtoPdb: 2373] [UniProtKB: P07288]
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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 Binding affinity to human AR LBD (663 to 920 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by biolayer interferometry assay B 4.4 pKd 40200 nM Kd J Med Chem (2022) 65: 2507-2521 [PMID:35077161]
ChEMBL Binding affinity to full length androgen receptor (unknown origin) assessed as dissociation constant at 5 uM measured after 15 mins by biolayer interferometry assay B 5.19 pKd 6520 nM Kd J Med Chem (2022) 65: 13074-13093 [PMID:36154033]
ChEMBL Displacement of [3H]-mibolerone from GST-tagged human AR-LBD expressed in HEK293 cells B 5.44 pKi 3641.29 nM Ki Bioorg Med Chem (2020) 28: 115554-115554 [PMID:32546299]
ChEMBL Displacement of [3H]-mibolerone from recombinant wild-type GST-tagged androgen receptor LBD (unknown origin) after 16 hrs by scintillation counting analysis B 5.44 pKi 3641 nM Ki J Med Chem (2019) 62: 491-511 [PMID:30525603]
ChEMBL Displacement of [3H]mibolerone from GST-tagged wild type AR ligand binding domain (unknown origin) incubated for 16 hrs by scintillation counting analysis B 5.44 pKi 3641 nM Ki J Med Chem (2023) 66: 3372-3392 [PMID:36825758]
ChEMBL Inhibition of androgen receptor (unknown origin) B 7.07 pKi 86 nM Ki Eur J Med Chem (2020) 205: 112667-112667 [PMID:32911308]
ChEMBL Antagonist activity at androgen receptor (unknown origin) B 7.55 pKi 28.2 nM Ki Eur J Med Chem (2015) 99: 51-66 [PMID:26046313]
ChEMBL Binding affinity to wild-type androgen receptor in human LNCaP cells assessed as inhibition constant incubated for 24 hrs by Cheng-Prusoff equation analysis B 7.77 pKi 17 nM Ki J Med Chem (2021) 64: 909-924 [PMID:33470111]
ChEMBL Inhibition of BF3 site of androgen receptor in enzalutamide-resistant human LNCAP cells assessed as reduction in PSA level after 3 days B 4 pIC50 >100000 nM IC50 J Med Chem (2013) 56: 1136-1148 [PMID:23301637]
ChEMBL Displacement of Fluormone AL Green from androgen receptor ligand binding domain (unknown origin) after 4 hrs by fluorescence polarization assay B 5.25 pIC50 5600 nM IC50 J Med Chem (2013) 56: 8280-8297 [PMID:24044500]
ChEMBL Competitive displacement of [3H]R1881 from human AR-LBD expressed in LNCaP cells incubated for 24 hrs by scintillation counting method based radioligand competitive binding assay B 5.27 pIC50 5336 nM IC50 Eur J Med Chem (2019) 171: 265-281 [PMID:30925341]
ChEMBL Displacement of fluormone-AL green from GST-tagged androgen receptor LBD (unknown origin) measured after 4 hrs by fluorescence polarization assay B 5.4 pIC50 3970 nM IC50 Eur J Med Chem (2020) 192: 112156-112156 [PMID:32114360]
ChEMBL Antagonist activity at Androgen receptor (unknown origin) expressed in COS7 cells by dual luciferase reporter gene assay relative to control B 5.52 pIC50 3030 nM IC50 Eur J Med Chem (2020) 192: 112196-112196 [PMID:32169785]
ChEMBL Antagonist activity at androgen receptor (unknown origin) expressed in African green monkey COS7 cells assessed as inhibition of R1881-induced protein activation after 24 hrs by luciferase reporter gene assay B 5.9 pIC50 1260 nM IC50 Eur J Med Chem (2018) 143: 1325-1344 [PMID:29117897]
ChEMBL Antagonist activity at androgen receptor W741L mutant expressed in HEK293 cells assessed as reduction in DHT-induced transcriptional activation of androgen receptor incubated for 24 hrs by Steady-Glo assay B 5.99 pIC50 1031 nM IC50 J Med Chem (2023) 66: 9972-9991 [PMID:37458396]
ChEMBL Binding affinity to GST-tagged androgen receptor LBD (unknown origin) incubated for 4 hrs by fluorescence polarization assay B 6.1 pIC50 800 nM IC50 J Med Chem (2023) 66: 13280-13303 [PMID:37683104]
ChEMBL Displacement of Fluormone AL Green from androgen receptor LBD (unknown origin) incubated for 4 hrs by fluorescence polarization assay B 6.1 pIC50 800 nM IC50 J Med Chem (2023) 66: 8822-8843 [PMID:37382562]
ChEMBL Antagonist activity at androgen receptor (unknown origin) expressed in HEK293 cells using DHT as substrate preincubated for 30 mins followed by substrate addition measured after 24 hrs by Steady-Glo luciferase assay B 6.19 pIC50 646.9 nM IC50 Bioorg Med Chem (2021) 31: 115953-115953 [PMID:33388655]
ChEMBL Antagonist activity at wild type androgen receptor expressed in HEK293 cells assessed as reduction in DHT-induced transcriptional activation of androgen receptor incubated for 24 hrs by Steady-Glo assay B 6.28 pIC50 522 nM IC50 J Med Chem (2023) 66: 9972-9991 [PMID:37458396]
ChEMBL Antagonist activity at DHT-induced Androgen receptor transcriptional activity in human HEK293 cells measured after 24 hrs by Steady-Glo reagent based assay B 6.31 pIC50 492 nM IC50 J Med Chem (2022) 65: 12460-12481 [PMID:36070471]
ChEMBL Inhibition of AR transcriptional activity in human LNCaP cells harboring ARR2PB-eGFP assessed as decrease in PSA level B 6.32 pIC50 480 nM IC50 J Med Chem (2021) 64: 17221-17238 [PMID:34809430]
ChEMBL Anti-androgenic activity at androgen receptor (unknown origin) expressed in HEK293 cells by BRET assay B 6.35 pIC50 450 nM IC50 Bioorg Med Chem Lett (2022) 55: 128441-128441 [PMID:34767912]
ChEMBL Antagonist activity at GAL4 DBD-fused androgen receptor LBD (unknown origin) transfected in UAS-bla GripTite 293 cells assessed as inhibition of R1881-induced receptor activation after 16 to 24 hrs by beta-lactamase reporter gene assay B 6.44 pIC50 361 nM IC50 Bioorg Med Chem Lett (2016) 26: 3636-3640 [PMID:27301368]
ChEMBL Inhibition of androgen receptor in human VCaP cells expressing GRE-2-TATA-Luc co-expressing firefly luciferase incubated for 24 hrs in presence of DHT by luciferase reporter gene assay B 6.47 pIC50 340 nM IC50 ACS Med Chem Lett (2023) 14: 1800-1806 [PMID:38116409]
ChEMBL Inhibition of androgen receptor (unknown origin) B 6.66 pIC50 219 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. - 6.66 pIC50 219 nM IC50 Sci Rep (2015) 5: 12007 [PMID:26137992]
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 6.67 pIC50 216 nM IC50 J Med Chem (2019) 62: 491-511 [PMID:30525603]
ChEMBL Antagonist activity at human androgen receptor expressed in HEK-293 cells harboring GRE-LUC and CMV-renilla luciferase assessed as inhibition of transactivation incubated for 24 hrs in presence of R1881 by dual luciferase assay B 6.67 pIC50 216 nM IC50 J Med Chem (2021) 64: 11045-11062 [PMID:34269581]
ChEMBL Antagonist activity at CMV-tagged full length wild type human AR expressed in HEK293 cells co-transfected with GRE-LUC and CMV-renilla LUC assessed as inhibition of R1881-induced receptor transactivation measured after 24 hrs by luciferase reporter gene assay B 6.67 pIC50 216 nM IC50 J Med Chem (2023) 66: 3372-3392 [PMID:36825758]
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 6.67 pIC50 216 nM IC50 J Med Chem (2020) 63: 12642-12665 [PMID:33095584]
ChEMBL Antagonist activity at wild type androgen receptor in castration-resistant human LNCaP cells assessed as inhibition of R1881-stimulated receptor transcriptional activation measured after 20 to 24 hrs by Steady-Glo luciferase assay B 6.93 pIC50 117 nM IC50 ACS Med Chem Lett (2021) 12: 1245-1252 [PMID:34422225]
ChEMBL Antagonist activity at AR wild-type (unknown origin) transfected in human LNCAP cells cotransfected with ARE-LUC incubated for 20 to 24 hrs in presence of AR agonist R1881 by steady-glo luciferase reporter gene assay B 6.93 pIC50 117 nM IC50 J Med Chem (2021) 64: 909-924 [PMID:33470111]
ChEMBL Antagonist activity at androgen receptor T877A mutant (unknown origin) expressed in HEK293 cells incubated for 24 hrs by luciferase reporter assay B 6.95 pIC50 112.3 nM IC50 J Med Chem (2022) 65: 12460-12481 [PMID:36070471]
ChEMBL Antagonist activity at androgen receptor T877A mutant expressed in HEK293 cells assessed as reduction in DHT-induced transcriptional activation of androgen receptor incubated for 24 hrs by Steady-Glo assay B 6.95 pIC50 112.3 nM IC50 J Med Chem (2023) 66: 9972-9991 [PMID:37458396]
ChEMBL Inhibition of R1881-induced full length AR transcriptional activity in human LNCAP cells harboring AR2PB-eGFP construct after 72 hrs by fluorescence assay B 7.05 pIC50 90 nM IC50 Eur J Med Chem (2018) 157: 1164-1173 [PMID:30193215]
ChEMBL Binding affinity to GST-tagged AR ligand binding domain (unknown origin) measured after 4 hrs by fluorescence polarization assay B 7.1 pIC50 80 nM IC50 J Med Chem (2021) 64: 17221-17238 [PMID:34809430]
ChEMBL Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method B 7.12 pIC50 75 nM IC50 J Med Chem (2021) 64: 14968-14982 [PMID:34661404]
ChEMBL Antagonist activity against human androgen receptor expressed in human LNCap cells trasfected with ARR2PB-eGFP cells incubated for 3 days by fluorescence based AR transcription assay B 7.15 pIC50 70 nM IC50 J Med Chem (2022) 65: 2507-2521 [PMID:35077161]
ChEMBL Inhibition of full length AR transcriptional activity in human LNCAP cells harboring AR2PB-eGFP construct assessed as reduction in R1881-induced secreted PSA level after 72 hrs by fluorescence assay B 7.3 pIC50 50 nM IC50 Eur J Med Chem (2018) 157: 1164-1173 [PMID:30193215]
ChEMBL Displacement of [3H]methyltrienolone from wild-type androgen receptor in human LNCaP cells incubated for 24 hrs by scintillation counting analysis B 7.42 pIC50 38 nM IC50 J Med Chem (2021) 64: 909-924 [PMID:33470111]
GtoPdb - - 7.44 pIC50 36 nM IC50 Science (2009) 324: 787-90 [PMID:19359544]
ChEMBL Antagonist activity at androgen receptor in human LNCaP cells transfected with ARR2 PB-eGFP assessed as inhibition of DHT-induced transcriptional activity measured after 3 days by fluorescence assay B 7.44 pIC50 36 nM IC50 Eur J Med Chem (2020) 192: 112156-112156 [PMID:32114360]
ChEMBL Antagonist activity at androgen receptor (unknown origin) in human LNCap-ARR2PB-eGFP cells by measuring fluorescence intensity measured after 3 days by transcriptional assay B 7.6 pIC50 25 nM IC50 J Med Chem (2022) 65: 13074-13093 [PMID:36154033]
ChEMBL Displacement of [18F]-FDHT from androgen receptor in human LNCAP/AR cells B 7.68 pIC50 21 nM IC50 Bioorg Med Chem Lett (2016) 26: 5222-5228 [PMID:27717544]
ChEMBL Inhibition of AR transcriptional activity in human LNCaP cells harboring ARR2PB-eGFP incubated for 72 hrs by fluorescence assay B 7.85 pIC50 14 nM IC50 J Med Chem (2021) 64: 17221-17238 [PMID:34809430]
ChEMBL Agonist activity at full length androgen receptor F877L mutant (unknown origin) expressed in PC-3 cells assessed as transcriptional activity B 4.94 pEC50 11390 nM EC50 J Med Chem (2022) 65: 13074-13093 [PMID:36154033]
ChEMBL Antagonist activity at androgen receptor in human C4-2-PSA-rl cells incubated for 24 hrs in presence of androgen R1881 by dual-glo luciferase reporter gene assay B 5.96 pEC50 1100 nM EC50 ACS Med Chem Lett (2016) 7: 785-790 [PMID:27563404]
ChEMBL Antagonist activity at Androgen receptor in human LNCaP C4-2 cells transfected with PSA6.1-luc and pRL-TK measured by luciferase gene reporter assay B 5.96 pEC50 1100 nM EC50 J Med Chem (2022) 65: 8772-8797 [PMID:35786895]
ChEMBL Agonist activity at full length androgen receptor F876L/T877A mutant (unknown origin) expressed in PC-3 cells assessed as transcriptional activity B 5.97 pEC50 1070 nM EC50 J Med Chem (2022) 65: 13074-13093 [PMID:36154033]
ChEMBL Displacement of [3H]R1881 from AR in human LNCaP cells after 2 hrs by scintillation counting analysis B 6.04 pEC50 915 nM EC50 J Med Chem (2013) 56: 4880-4898 [PMID:23713567]
ChEMBL Antagonist activity at full length human androgen receptor expressed in mammalian expression system measured after 22 to 24 hrs by luciferase reporter gene assay B 6.38 pEC50 420 nM EC50 Bioorg Med Chem Lett (2017) 27: 2216-2220 [PMID:28385503]
ChEMBL Inhibition of DHT-induced androgen receptor transactivation in human LNCaP cells after 24 hrs by luciferase reporter gene assay relative to control B 6.74 pEC50 180 nM EC50 ACS Med Chem Lett (2016) 7: 708-713 [PMID:27437082]
ChEMBL Agonist activity at VP16-AR F877L mutant (unknown origin) transfected in human HepG2 cells cotransfected with ARE-LUC incubated for 48 hrs by steady-glo luciferase reporter gene assay B 7.21 pEC50 61.8 nM EC50 J Med Chem (2021) 64: 909-924 [PMID:33470111]
ChEMBL Displacement of [3H]R1881 from AR in human MDA-MB-453 cells B 7.31 pEC50 49 nM EC50 J Med Chem (2013) 56: 4880-4898 [PMID:23713567]
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 5.44 pKi 3641 nM Ki J Med Chem (2020) 63: 12642-12665 [PMID:33095584]
ChEMBL Inhibition of [3H] MIB binding to rat prostate androgen receptor LBD by competitive binding assay B 5.44 pKi 3641 nM Ki J Med Chem (2021) 64: 11045-11062 [PMID:34269581]
GtoPdb Binding affinity measured in competition with [3H]mibolerone using wtAR isolated from rat ventral prostates. - 7.07 pKi 86 nM Ki Sci Rep (2015) 5: 12007 [PMID:26137992]
ChEMBL Displacement of fluormone-AL Green from His-tagged/GST-fused recombinant rat androgen receptor LBD expressed in insect cells measured after 4 hrs by fluorescence polarization assay B 5.88 pIC50 1320 nM IC50 Bioorg Med Chem (2019) 27: 133-143 [PMID:30482547]
ChEMBL Displacement of fluormone-AL Green from His-tagged/GST-fused recombinant rat androgen receptor LBD expressed in insect cells measured after 4 hrs by fluorescence polarization assay B 5.88 pIC50 1320 nM IC50 Bioorg Med Chem (2019) 27: 115081-115081 [PMID:31493989]
ChEMBL Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition of R1881-induced receptor activation preincubated for 30 mins followed by R1881 addition measured after 16 to 24 hrs by betalactamase reporter gene assay B 6.44 pIC50 361 nM IC50 Eur J Med Chem (2016) 118: 230-243 [PMID:27131065]
ChEMBL Displacement of fluormone-DHT green from His/GST-tagged rat AR ligand binding domain after 4 to 8 hrs by fluorescence polarization assay B 6.53 pIC50 294 nM IC50 ACS Med Chem Lett (2016) 7: 1024-1027 [PMID:27994731]
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]
Glucocorticoid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2034] [GtoPdb: 625] [UniProtKB: P04150]
ChEMBL Binding affinity to glucocorticoid receptor in human IM-9 cells assessed as inhibition constant incubated for 6 hrs by Cheng-Prusoff equation analysis B 4.85 pKi 14000 nM Ki J Med Chem (2021) 64: 909-924 [PMID:33470111]
ChEMBL Displacement of [3H]dexamethasone from glucocorticoid receptor in human IM-9 cells incubated for 6 hrs by scintillation counting analysis B 4.54 pIC50 29000 nM IC50 J Med Chem (2021) 64: 909-924 [PMID:33470111]
ChEMBL Antagonist activity at glucocorticoid receptor in human HeLa cells assessed as reduction in dexamethasone-induced luciferase activity by dual-Glo luciferase assay B 5 pIC50 >10000 nM IC50 J Med Chem (2021) 64: 17221-17238 [PMID:34809430]
kallikrein related peptidase 3/Prostate specific antigen in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2099] [GtoPdb: 2373] [UniProtKB: P07288]
ChEMBL Inhibition of prostate specific antigen in human LNCaP cells B 6.89 pIC50 130 nM IC50 Eur J Med Chem (2020) 192: 112156-112156 [PMID:32114360]

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]