1,3-ditolylguanidine [Ligand Id: 6684] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL282433 (Di-o-tolylguanidine, Ditolylguanidine)
  • 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase in Human [ChEMBL: CHEMBL4931] [UniProtKB: Q15125]
  • 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase in Guinea pig [ChEMBL: CHEMBL5525] [UniProtKB: Q60490]
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  • C-8 sterol isomerase in Saccharomyces cerevisiae S288c [ChEMBL: CHEMBL3224] [UniProtKB: P32352]
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  • GluN2B/Glutamate [NMDA] receptor subunit epsilon 2 in Mouse [ChEMBL: CHEMBL3442] [GtoPdb: 457] [UniProtKB: Q01097]
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  • M1 receptor/Muscarinic acetylcholine receptor M1 in Rat [ChEMBL: CHEMBL276] [GtoPdb: 13] [UniProtKB: P08482]
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  • M2 receptor/Muscarinic acetylcholine receptor M2 in Rat [ChEMBL: CHEMBL309] [GtoPdb: 14] [UniProtKB: P10980]
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  • sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720]
  • sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Rat [ChEMBL: CHEMBL3602] [GtoPdb: 2552] [UniProtKB: Q9R0C9]
  • sigma non-opioid intracellular receptor 1 in Guinea pig [GtoPdb: 2552]
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  • Vesicular acetylcholine transporter in Rat [ChEMBL: CHEMBL2125] [GtoPdb: 1013] [UniProtKB: Q62666]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4931] [UniProtKB: Q15125]
ChEMBL Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand B 5.17 pKi 6700 nM Ki J Med Chem (2005) 48: 4754-4764 [PMID:16033255]
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5525] [UniProtKB: Q60490]
ChEMBL Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane B 5.12 pKi 7660 nM Ki J Med Chem (2008) 51: 7523-7531 [PMID:19053780]
C-8 sterol isomerase in Saccharomyces cerevisiae S288c (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3224] [UniProtKB: P32352]
ChEMBL Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand B 5.7 pKi 2000 nM Ki J Med Chem (2005) 48: 4754-4764 [PMID:16033255]
GluN2D/GluN3B/GluN1/GluN2A/GluN2B/GluN2C/GluN3A/Glutamate [NMDA] receptor in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2094124] [GtoPdb: 459, 461, 455, 456, 457, 458, 460] [UniProtKB: O15399, O60391, Q05586, Q12879, Q13224, Q14957, Q8TCU5]
ChEMBL In vitro inhibitory activity against [3H](+)-MK-801 binding to PCP receptor in guinea pig brain membrane homogenates B 4.97 pIC50 10700 nM IC50 J Med Chem (1990) 33: 2421-2429 [PMID:1975275]
ChEMBL In vitro inhibitory activity against [3H]-TCP binding to PCP receptor in guinea pig brain membrane homogenates B 5.11 pIC50 7800 nM IC50 J Med Chem (1990) 33: 2421-2429 [PMID:1975275]
GluN1/GluN2A/GluN2B/GluN2C/GluN2D/GluN3B/GluN3A/Glutamate NMDA receptor in Rat (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL1907608] [GtoPdb: 455, 456, 457, 458, 459, 461, 460] [UniProtKB: P35439, Q00959, Q00960, Q00961, Q62645, Q8VHN2, Q9R1M7]
ChEMBL Binding affinity was measured as selectivity for sigma-1 site over phencyclidine (PCP) receptor in rat using [3H]TCP as radioligand B 5.17 pKi 6690 nM Ki J Med Chem (1994) 37: 1964-1970 [PMID:8027978]
ChEMBL In vitro concentration required to inhibit specific [3H]MK-801 radioligand binding to N-methyl-D-aspartate (NMDA) receptor on rat brain membrane B 5.04 pIC50 9120 nM IC50 J Med Chem (1994) 37: 260-267 [PMID:8295213]
GluN2B/Glutamate [NMDA] receptor subunit epsilon 2 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3442] [GtoPdb: 457] [UniProtKB: Q01097]
ChEMBL Displacement of [3H]ifenprodil from GluN2B in mouse LTK cells assessed as inhibition constant measured after 120 mins by scintillation counting method B 9.22 pKi 0.6 nM Ki J Med Chem (2023) 66: 4999-5020 [PMID:36946301]
M1 receptor/Muscarinic acetylcholine receptor M1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL276] [GtoPdb: 13] [UniProtKB: P08482]
ChEMBL Binding affinity was measured as selectivity for sigma-1 site over muscarinic (M1) receptor in rat B 6.13 pKi 744 nM Ki J Med Chem (1994) 37: 1964-1970 [PMID:8027978]
M2 receptor/Muscarinic acetylcholine receptor M2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL309] [GtoPdb: 14] [UniProtKB: P10980]
ChEMBL Binding affinity was measured as selectivity for sigma 1 site over muscarinic (M2) receptor at 10 uM in rat using [3H]QN as radioligand B 5.53 pKi 2960 nM Ki J Med Chem (1994) 37: 1964-1970 [PMID:8027978]
Sigma-1 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4153] [UniProtKB: Q60492]
ChEMBL Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in guinea pig brain membrane B 6.75 pKi 177.3 nM Ki Bioorg Med Chem (2008) 16: 2992-3001 [PMID:18221879]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 2 hrs by scintillation counting B 6.75 pKi 177 nM Ki Bioorg Med Chem (2016) 24: 4045-4055 [PMID:27396684]
ChEMBL Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by liquid scintillation analyzer B 6.79 pKi 164 nM Ki Eur J Med Chem (2009) 44: 519-525 [PMID:18499305]
ChEMBL Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane B 6.79 pKi 164 nM Ki Eur J Med Chem (2007) 42: 1247-1262 [PMID:17420073]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes incubated for 120 mins measured for 5 mins by scintillation counting method B 7.05 pKi 89 nM Ki Eur J Med Chem (2018) 144: 672-681 [PMID:29289890]
ChEMBL Displacement of [3H](+)-pentazocine from sigma1 opioid receptor from guinea pig brain cortex after 150 mins by scintillation counting B 7.05 pKi 89 nM Ki Bioorg Med Chem (2010) 18: 4095-4102 [PMID:20451396]
ChEMBL Displacement of [3H](+)-pentazocine from sigma1 receptor guinea pig brain after 180 mins scintillation counting B 7.05 pKi 89 nM Ki Bioorg Med Chem (2010) 18: 8005-8015 [PMID:20965739]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes B 7.05 pKi 89 nM Ki Eur J Med Chem (2011) 46: 1972-1982 [PMID:21481987]
ChEMBL Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis B 7.05 pKi 89 nM Ki Bioorg Med Chem (2013) 21: 1844-1856 [PMID:23462714]
ChEMBL Displacement of (+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membrane after 120 mins by scintillation counting B 7.05 pKi 89 nM Ki Eur J Med Chem (2013) 69: 490-497 [PMID:24095744]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting B 7.05 pKi 89 nM Ki Eur J Med Chem (2013) 70: 78-87 [PMID:24140950]
ChEMBL Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis B 7.05 pKi 89 nM Ki Eur J Med Chem (2014) 83: 526-533 [PMID:24996139]
ChEMBL Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membranes after 180 mins by scintillation counting method B 7.05 pKi 89 nM Ki Bioorg Med Chem (2014) 22: 6638-6646 [PMID:25458498]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes B 7.05 pKi 89 nM Ki Bioorg Med Chem (2014) 22: 4277-4284 [PMID:24913984]
ChEMBL Displacement of [3H]-(+)-Pentazocine from sigma1 receptor in guniea pig brain cortex membranes by scintillation counting analysis B 7.05 pKi 89 nM Ki Bioorg Med Chem Lett (2015) 25: 5748-5751 [PMID:26531150]
ChEMBL Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation spectrometry B 7.05 pKi 89 nM Ki Medchemcomm (2016) 7: 327-331
ChEMBL Displacement of [3H]-(+)-Pentazocine from sigma1 receptor in guinea pig brain homogenate incubated for 120 mins by solid scintillation counting analysis B 7.05 pKi 89 nM Ki Eur J Med Chem (2016) 116: 136-146 [PMID:27061977]
ChEMBL Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting B 7.05 pKi 89 nM Ki Bioorg Med Chem (2017) 25: 4778-4799 [PMID:28764962]
ChEMBL Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis B 7.05 pKi 89 nM Ki Bioorg Med Chem (2017) 25: 5365-5372 [PMID:28797770]
ChEMBL Displacement of [3H]-(+)-Pentazocine from sigma 1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis B 7.05 pKi 89 nM Ki Bioorg Med Chem (2018) 26: 501-508 [PMID:29254894]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes measured after 120 mins by scintillation counting method B 7.05 pKi 89 nM Ki Bioorg Med Chem (2018) 26: 1705-1712 [PMID:29482951]
ChEMBL Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis B 7.05 pKi 89 nM Ki Medchemcomm (2017) 8: 975-981 [PMID:30108812]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 120 mins by solid scintillation counting method B 7.05 pKi 89 nM Ki Eur J Med Chem (2019) 180: 268-282 [PMID:31319263]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 120 mins by solid scintillation counting method B 7.05 pKi 89 nM Ki Bioorg Med Chem (2019) 27: 115146-115146 [PMID:31648876]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 120 mins by scintillation counting method B 7.05 pKi 89 nM Ki Eur J Med Chem (2019) 177: 47-62 [PMID:31129453]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 120 mins by scintillation counting method B 7.05 pKi 89 nM Ki Bioorg Med Chem (2020) 28: 115245-115245 [PMID:31843460]
ChEMBL Displacement of [3H]-(+)pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method B 7.05 pKi 89 nM Ki ACS Med Chem Lett (2020) 11: 651-656 [PMID:32435366]
ChEMBL Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membrane incubated for 120 mins by liquid scintillation counting method B 7.05 pKi 89 nM Ki Eur J Med Chem (2021) 210: 112950-112950 [PMID:33148494]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by solid scintillation counting method B 7.05 pKi 89 nM Ki Eur J Med Chem (2021) 219: 113443-113443 [PMID:33901806]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by scintillation counting method B 7.05 pKi 89 nM Ki J Med Chem (2022) 65: 12292-12318 [PMID:36084304]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes measured after 120 mins by scintillation counting method B 7.05 pKi 89 nM Ki Eur J Med Chem (2022) 237: 114359-114359 [PMID:35468513]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane by competitive radioligand receptor binding assay B 7.05 pKi 89 nM Ki Eur J Med Chem (2022) 230: 114113-114113 [PMID:35065412]
ChEMBL Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane without cerebellum B 7.05 pKi 88.5 nM Ki J Med Chem (2008) 51: 7523-7531 [PMID:19053780]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis B 7.15 pKi 71 nM Ki J Med Chem (2014) 57: 2884-2894 [PMID:24617836]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting method B 7.15 pKi 71 nM Ki Eur J Med Chem (2016) 121: 712-726 [PMID:27366902]
ChEMBL Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis B 7.15 pKi 71 nM Ki J Med Chem (2016) 59: 5505-5519 [PMID:27156565]
ChEMBL Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis B 7.15 pKi 71 nM Ki J Med Chem (2019) 62: 4204-4217 [PMID:30939014]
ChEMBL Displacement of [3H]-pentazocine from guinea pig brain sigma 1 receptor incubated for 120 mins by liquid scintillation counting method B 7.15 pKi 71 nM Ki RSC Med Chem (2021) 12: 237-244 [PMID:34046612]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method B 7.15 pKi 70.1 nM Ki Eur J Med Chem (2015) 90: 1-9 [PMID:25461306]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins B 7.16 pKi 69.4 nM Ki J Med Chem (2011) 54: 3669-3673 [PMID:21476493]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 180 mins by solid scintillation counting B 7.21 pKi 61 nM Ki Eur J Med Chem (2012) 53: 327-336 [PMID:22578786]
ChEMBL Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis B 7.21 pKi 61 nM Ki J Med Chem (2012) 55: 5350-5360 [PMID:22515405]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting B 7.21 pKi 61 nM Ki J Med Chem (2012) 55: 8047-8065 [PMID:22913577]
ChEMBL Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting B 7.21 pKi 61 nM Ki J Med Chem (2011) 54: 6704-6713 [PMID:21859078]
ChEMBL Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate B 7.21 pKi 61 nM Ki Bioorg Med Chem (2009) 17: 777-793 [PMID:19081725]
ChEMBL Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane B 7.21 pKi 61 nM Ki J Med Chem (2008) 51: 6531-6537 [PMID:18816044]
ChEMBL Displacement of [3H](+)-pentazocine from sigma1 opioid receptor in guinea pig brain by solid scintillation counting B 7.21 pKi 61 nM Ki Bioorg Med Chem (2009) 17: 1445-1455 [PMID:19196515]
ChEMBL Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis B 7.21 pKi 61 nM Ki Bioorg Med Chem (2009) 17: 3630-3641 [PMID:19394833]
ChEMBL Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 180 mins by scintillation counting B 7.21 pKi 61 nM Ki J Med Chem (2009) 52: 6062-6072 [PMID:19791807]
ChEMBL Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain after 180 mins by scintillation counting B 7.21 pKi 61 nM Ki Eur J Med Chem (2009) 44: 4306-4314 [PMID:19709783]
ChEMBL Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane B 7.21 pKi 61 nM Ki J Med Chem (2010) 53: 4212-4222 [PMID:20441176]
ChEMBL Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis B 7.21 pKi 61 nM Ki J Med Chem (2009) 52: 2126-2137 [PMID:19243173]
ChEMBL Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma-1 receptor after 180 mins by scintillation counting analysis B 7.21 pKi 61 nM Ki Medchemcomm (2012) 3: 673-679
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method B 7.21 pKi 61 nM Ki Bioorg Med Chem (2017) 25: 3384-3395 [PMID:28501431]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane incubated for 120 mins measured for 5 mins by scintillation counting method B 7.21 pKi 61 nM Ki Bioorg Med Chem (2017) 25: 2472-2481 [PMID:28320613]
ChEMBL Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain homogenate after 120 mins by beta counting B 7.23 pKi >58.8 nM Ki Bioorg Med Chem (2015) 23: 1463-1471 [PMID:25752422]
ChEMBL Displacement of [3H]-(+)-pentazocine from guinea pig brain membrane sigma 1 receptor assessed as inhibition constant measured after 120 mins by scintillation counting method B 7.24 pKi 57 nM Ki J Med Chem (2023) 66: 4999-5020 [PMID:36946301]
ChEMBL Displacement of [3H](+)-pentazocine from guinea pig brain sigma 1 receptor B 7.39 pKi 41 nM Ki J Med Chem (2007) 50: 951-961 [PMID:17328523]
ChEMBL Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting analysis B 7.42 pKi 38.4 nM Ki Eur J Med Chem (2013) 64: 488-497 [PMID:23680866]
ChEMBL Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting analysis B 7.44 pKi 36.7 nM Ki Bioorg Med Chem Lett (2016) 26: 2676-2679 [PMID:27090556]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis B 7.45 pKi 35.45 nM Ki Bioorg Med Chem (2015) 23: 222-230 [PMID:25468036]
σ2/Sigma intracellular receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105907] [GtoPdb: 2553] [UniProtKB: Q5BJF2]
ChEMBL Binding affinity to sigma 2 receptor (unknown origin) B 7.55 pKi 28.4 nM Ki J Med Chem (2016) 59: 6329-6343 [PMID:27309376]
ChEMBL Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in human RT4 cell membranes incubated for 120 mins in the presence of sigma1 receptor ligand (+)-pentazocine by scintillation counting method B 7.7 pKi 20 nM Ki J Med Chem (2019) 62: 4204-4217 [PMID:30939014]
ChEMBL Binding affinity to sigma 2 receptor (unknown origin) assessed as inhibition constant by radioligand binding assay B 7.74 pKi 18 nM Ki Bioorg Med Chem Lett (2022) 72: 128860-128860 [PMID:35724925]
σ2/Sigma intracellular receptor 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105864] [GtoPdb: 2553] [UniProtKB: Q5U3Y7]
ChEMBL Binding affinity to sigma2 receptor in rat liver membranes incubated for 120 mins by liquid scintillation counting method B 7.75 pKd 17.9 nM Kd Eur J Med Chem (2019) 177: 47-62 [PMID:31129453]
ChEMBL Displacement of [3H]di-O-tolylguanidine from sigma 2 receptor in rat liver membrane by competitive radioligand receptor binding assay B 7.24 pKi 58 nM Ki Eur J Med Chem (2022) 230: 114113-114113 [PMID:35065412]
ChEMBL Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane by solid scintillation counting method B 7.24 pKi 58 nM Ki Eur J Med Chem (2021) 219: 113443-113443 [PMID:33901806]
ChEMBL Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes after 120 mins by liquid scintillation counting B 7.24 pKi 58 nM Ki Bioorg Med Chem (2017) 25: 4778-4799 [PMID:28764962]
ChEMBL Displacement of [3H]-DTG from sigma 2 receptor in rat liver membrane measured after 120 mins by microbeta counting analysis B 7.24 pKi 58 nM Ki Eur J Med Chem (2022) 237: 114359-114359 [PMID:35468513]
ChEMBL Displacement of [3H]-DTG from sigma 2 receptor in rat liver membranes after 120 mins by scintillation counting analysis B 7.24 pKi 58 nM Ki Bioorg Med Chem (2018) 26: 501-508 [PMID:29254894]
ChEMBL Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane incubated for 120 mins by liquid scintillation counting method relative to control B 7.24 pKi 58 nM Ki Eur J Med Chem (2021) 210: 112950-112950 [PMID:33148494]
ChEMBL Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand (+)-pentazocine by scintillation counting method B 7.24 pKi 57 nM Ki Bioorg Med Chem (2020) 28: 115245-115245 [PMID:31843460]
ChEMBL Displacement of [3H]-Di-o-tolylguanidine from sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method B 7.24 pKi 57 nM Ki ACS Med Chem Lett (2020) 11: 651-656 [PMID:32435366]
ChEMBL Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes measured after 120 mins by scintillation counting method B 7.24 pKi 57 nM Ki J Med Chem (2022) 65: 12292-12318 [PMID:36084304]
ChEMBL Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes measured after 120 mins by scintillation counting method B 7.24 pKi 57 nM Ki Bioorg Med Chem (2018) 26: 1705-1712 [PMID:29482951]
ChEMBL Displacement of [3H]-di-o-tolylguanidine from sigma-2 receptor in rat liver membranes incubated for 120 mins measured for 5 mins by scintillation counting method B 7.24 pKi 57 nM Ki Eur J Med Chem (2018) 144: 672-681 [PMID:29289890]
ChEMBL Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes in the presence of sigma1 receptor ligand (+)-pentazocine incubated for 120 mins by scintillation counting method B 7.24 pKi 57 nM Ki Eur J Med Chem (2019) 180: 268-282 [PMID:31319263]
ChEMBL Displacement of [3H]di-o-tolylguanidine from sigma2 receptor in rat liver membranes measured after 120 mins by solid scintillation counting method B 7.24 pKi 57 nM Ki Bioorg Med Chem (2019) 27: 115146-115146 [PMID:31648876]
ChEMBL Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins by scintillation counting method B 7.24 pKi 57 nM Ki Eur J Med Chem (2019) 177: 47-62 [PMID:31129453]
ChEMBL Displacement of [3H]-DTG from Sprague-Dawley rat liver sigma 2 receptor incubated for 120 mins by liquid scintillation counting method B 7.27 pKi 54 nM Ki RSC Med Chem (2021) 12: 237-244 [PMID:34046612]
ChEMBL Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand (+)-pentazocine by scintillation counting method B 7.27 pKi 54 nM Ki J Med Chem (2019) 62: 4204-4217 [PMID:30939014]
ChEMBL Displacement of [3H]DTG from sigma2 receptor in rat liver membranes by liquid scintillation counting method B 7.27 pKi 54 nM Ki Eur J Med Chem (2018) 156: 534-553 [PMID:30025348]
ChEMBL Displacement of [3H]DTG from sigma-2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method B 7.38 pKi 42 nM Ki Bioorg Med Chem (2017) 25: 3384-3395 [PMID:28501431]
ChEMBL Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane incubated for 120 mins measured for 5 mins by scintillation counting method B 7.38 pKi 42 nM Ki Bioorg Med Chem (2017) 25: 2472-2481 [PMID:28320613]
ChEMBL Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membrane assessed as inhibition constant incubated for 120 mins B 7.71 pKi 19.5 nM Ki J Med Chem (2023) 66: 3798-3817 [PMID:36919956]
ChEMBL Displacement of [3H]-(+)-DTG from rat liver homogenate S2R incubated for 120 mins by liquid scintillation counting method B 7.74 pKi 18 nM Ki J Med Chem (2023) 66: 11447-11463 [PMID:37535861]
σ2 in Guinea pig [GtoPdb: 2553]
GtoPdb - - 7.4 pKi 39.87 nM Ki Synapse (2006) 59: 350-8 [PMID:16463398]
sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720]
ChEMBL Binding affinity against MCF cells in the membrane preparation using radioligand binding assay. B 7.42 pKd 38.2 nM Kd J Med Chem (1994) 37: 1737-1739 [PMID:8021913]
ChEMBL Binding constant (Kd) for [3H]DTG binding to Sigma opioid receptor type 1 of guinea pig brain membranes at 1 uM BNIT B 7.87 pKd 13.6 nM Kd J Med Chem (2002) 45: 2662-2665 [PMID:12036376]
ChEMBL Binding constant (Kd) for [3H]DTG binding to Sigma opioid receptor type 1 of guinea pig brain membranes at 5 uM BNIT B 7.94 pKd 11.6 nM Kd J Med Chem (2002) 45: 2662-2665 [PMID:12036376]
ChEMBL Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis B 6.68 pKi 208 nM Ki J Med Chem (2014) 57: 2884-2894 [PMID:24617836]
ChEMBL Displacement of [3H](+)-Pentazocine from sigma 1 receptor in human RPMI8226 cell membranes B 6.68 pKi 208 nM Ki J Med Chem (2016) 59: 5505-5519 [PMID:27156565]
ChEMBL Sigma opioid receptor type 1 affinity in guinea pig brain by employing [3H](+)-pentazocine as radioligand. B 6.79 pKi 164 nM Ki J Med Chem (2002) 45: 438-448 [PMID:11784148]
ChEMBL Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain B 6.97 pKi 107 nM Ki J Med Chem (1994) 37: 1964-1970 [PMID:8027978]
ChEMBL Binding affinity for Sigma opioid receptor type 1 in guinea pig brain homogenate with 0.5 nM [3H](+)-PENT B 6.97 pKi 107 nM Ki Bioorg Med Chem Lett (1994) 4: 2185-2188
ChEMBL Binding affinity to sigma-1 receptor (unknown origin) by radioligand displacement assay B 7.05 pKi 89 nM Ki Bioorg Med Chem Lett (2016) 26: 889-893 [PMID:26750254]
ChEMBL Binding affinity for Sigma opioid receptor type 2 in guinea pig brain homogenate with 4 nM [3H]-(+)-DTG B 7.15 pKi 70 nM Ki Bioorg Med Chem Lett (1994) 4: 2185-2188
ChEMBL Inhibitory constant against sigma receptor type 1 using 3 nM [3H]pentazocine B 7.16 pKi 69 nM Ki J Med Chem (2005) 48: 266-273 [PMID:15634021]
ChEMBL Binding affinity against sigma receptor of MCF cells B 7.22 pKi 60 nM Ki J Med Chem (1994) 37: 1737-1739 [PMID:8021913]
ChEMBL Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation counting method B 7.23 pKi 59 nM Ki J Med Chem (2020) 63: 14979-14988 [PMID:33237785]
ChEMBL Tested for binding affinity against sigma 1 receptor B 7.39 pKi 41 nM Ki J Med Chem (1994) 37: 1214-1219 [PMID:8164264]
ChEMBL Inhibitory activity against sigma receptor isolated from guinea pig brain cortex membrane using [3H]DTG as radioligand B 7.43 pKi 37.3 nM Ki J Med Chem (1996) 39: 176-182 [PMID:8568804]
ChEMBL Opioid activity in terms of inhibition of [3H]dihydromorphine binding to opioid receptor mu in rat brain membrane. B 7.54 pKi 28.8 nM Ki J Med Chem (1991) 34: 1855-1859 [PMID:1648139]
ChEMBL In vitro binding affinity at opioid sigma-1 receptor in guinea pig brain membranes by (+)-[3H]pentazocine displacement. B 7.55 pKi 28.2 nM Ki J Med Chem (2004) 47: 2308-2317 [PMID:15084129]
ChEMBL Ability to displace [3H](+)-pentazocine at sigma receptor in guinea pig brain membrane was determined B 7.55 pKi 28 nM Ki J Med Chem (1993) 36: 2311-2320 [PMID:8360875]
ChEMBL Binding affinity for sigma receptor using [3H](+)-pentazocine in guinea pig brain homogenates B 7.56 pKi 27.7 nM Ki J Med Chem (1992) 35: 4334-4343 [PMID:1447735]
ChEMBL Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand B 7.56 pKi 27.7 nM Ki J Med Chem (1994) 37: 314-321 [PMID:8295220]
ChEMBL Inhibition of [3H]pentazocine binding to Sigma opioid receptor type 1 B 7.56 pKi 27.4 nM Ki Bioorg Med Chem Lett (1997) 7: 2303-2306
ChEMBL Inhibitory constant against sigma receptor type 2 using 3 nM [3H]ditolylguanidine B 7.68 pKi 21 nM Ki J Med Chem (2005) 48: 266-273 [PMID:15634021]
ChEMBL Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand B 7.82 pKi 15 nM Ki J Med Chem (2005) 48: 4754-4764 [PMID:16033255]
ChEMBL Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillation counting method B 7.82 pKi 15 nM Ki Bioorg Med Chem (2019) 27: 1824-1835 [PMID:30904383]
ChEMBL Binding affinity to sigma 1 receptor (unknown origin) B 7.82 pKi 15 nM Ki J Med Chem (2016) 59: 6329-6343 [PMID:27309376]
ChEMBL Inhibition of specific binding of [3H]3-PPP to sigma binding site in Guinea pig brain membranes B 7.28 pIC50 53 nM IC50 J Med Chem (1992) 35: 4683-4689 [PMID:1469697]
ChEMBL In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates B 7.42 pIC50 38 nM IC50 J Med Chem (1990) 33: 2421-2429 [PMID:1975275]
ChEMBL In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates B 7.49 pIC50 32 nM IC50 J Med Chem (1990) 33: 2421-2429 [PMID:1975275]
ChEMBL The compound was evaluated for binding affinity against sigma opioid receptor using [3H]DTG radioligand in guinea pig membranes B 7.49 pIC50 32 nM IC50 Bioorg Med Chem Lett (1993) 3: 2113-2116
ChEMBL Tested in vitro for the concentration required to inhibit specific [3H]DTG radioligand binding to sigma receptor on guinea pig brain membrane B 7.51 pIC50 31 nM IC50 J Med Chem (1994) 37: 260-267 [PMID:8295213]
ChEMBL Displacement of [3H]DTG from sigma opioid receptor of homogenized guinea pig whole brain B 7.55 pIC50 28 nM IC50 J Med Chem (1991) 34: 1867-1870 [PMID:1648140]
ChEMBL Inhibition of specific binding of [3H]DTG to sigma binding site in Guinea pig brain membranes B 7.55 pIC50 28 nM IC50 J Med Chem (1992) 35: 4683-4689 [PMID:1469697]
ChEMBL Inhibition of specific binding of [125I]-PIPAG to sigma binding site in Guinea pig brain membranes B 7.74 pIC50 18 nM IC50 J Med Chem (1992) 35: 4683-4689 [PMID:1469697]
ChEMBL Inhibition of specific binding of [3H]NANM of sigma binding site in Guinea pig brain membranes B 7.82 pIC50 15 nM IC50 J Med Chem (1992) 35: 4683-4689 [PMID:1469697]
sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3602] [GtoPdb: 2552] [UniProtKB: Q9R0C9]
ChEMBL Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat liver membrane B 6.74 pKi 180 nM Ki Eur J Med Chem (2009) 44: 124-130 [PMID:18440098]
ChEMBL Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting B 6.74 pKi 180 nM Ki J Med Chem (2009) 52: 5380-5393 [PMID:19673530]
ChEMBL Displacement of (+)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cerebral membrane after 90 mins by liquid scintillation counting B 6.88 pKi 131.1 nM Ki Bioorg Med Chem (2012) 20: 4936-4941 [PMID:22831799]
ChEMBL Displacement of [3H]-(+)-pentazocine from rat liver homogenate S1R incubated for 120 mins by liquid scintillation counting method B 6.91 pKi 124 nM Ki J Med Chem (2023) 66: 11447-11463 [PMID:37535861]
ChEMBL Binding affinity to sigma 1 receptor in rat C6 cells B 7.05 pKi 88.5 nM Ki J Med Chem (2009) 52: 7817-7828 [PMID:19842660]
ChEMBL Sigma opioid receptor type 2 affinity in rat liver by employing [3H]ditolylguanidine as radioligand B 7.19 pKi 63.9 nM Ki J Med Chem (2002) 45: 438-448 [PMID:11784148]
ChEMBL Binding affinity for sigma receptor was evaluated by the inhibitory effect on [3H]DTG to rat whole brain membranes B 6.4 pIC50 400 nM IC50 J Med Chem (2000) 43: 177-189 [PMID:10649973]
ChEMBL Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand B 7.28 pIC50 52 nM IC50 J Med Chem (1995) 38: 2009-2017 [PMID:7783132]
ChEMBL Compound was evaluated for the binding affinity towards Sigma receptor type 1 using radioligand ([3H]-(+)- Pentazocine) binding assay. B 7.44 pIC50 36 nM IC50 J Med Chem (1995) 38: 2009-2017 [PMID:7783132]
ChEMBL Binding affinity towards sigma receptor binding site 1 using [3H](+)-pentazocine B 7.44 pIC50 36 nM IC50 J Med Chem (1995) 38: 1998-2008 [PMID:7783131]
sigma non-opioid intracellular receptor 1 in Guinea pig [GtoPdb: 2552]
GtoPdb - - 7.45 pKi 35.45 nM Ki Synapse (2006) 59: 350-8 [PMID:16463398]
Vesicular acetylcholine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2125] [GtoPdb: 1013] [UniProtKB: Q62666]
ChEMBL Displacement of [125I]O-iodo-trans-decalinvesamicol from VAChT in Sprague-Dawley rat cerebral membrane after 1 hr by gamma counting B 5.95 pKi 1134 nM Ki Bioorg Med Chem (2012) 20: 4936-4941 [PMID:22831799]

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]