PB-28 [Ligand Id: 6681] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL53325 (PB-28) |
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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 Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5525] [UniProtKB: Q60490] | ||||||||
| ChEMBL | Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane | B | 8.08 | pKi | 8.38 | nM | Ki | J Med Chem (2008) 51: 7523-7531 [PMID:19053780] |
| ChEMBL | Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay | B | 8.08 | pKi | 8.38 | nM | Ki | J Med Chem (2009) 52: 7817-7828 [PMID:19842660] |
| α2A-adrenoceptor/Alpha-2a adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913] | ||||||||
| ChEMBL | Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine | B | 5.82 | pKi | 1513.56 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
| α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089] | ||||||||
| ChEMBL | Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine | B | 5.03 | pKi | 9332.54 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
| α2C-adrenoceptor/Alpha-2c adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1916] [GtoPdb: 27] [UniProtKB: P18825] | ||||||||
| ChEMBL | Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine | B | 6.32 | pKi | 478.63 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
| D2 receptor/Dopamine D2 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL339] [GtoPdb: 215] [UniProtKB: P61169] | ||||||||
| ChEMBL | In vitro binding affinity at Dopamine receptor D2 in rat striatum by [3H]spiroperidol displacement. | B | 6.22 | pKi | 604 | nM | Ki | J Med Chem (2004) 47: 2308-2317 [PMID:15084129] |
| GluN2C/Glutamate [NMDA] receptor subunit epsilon 3 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL401] [GtoPdb: 458] [UniProtKB: Q00961] | ||||||||
| ChEMBL | Inhibitory activity against sigma receptor isolated from guinea pig brain cortex membrane using PCP as radioligand at a concentration of 10e-5 M | B | 4.03 | pKi | >92600 | nM | Ki | J Med Chem (1996) 39: 176-182 [PMID:8568804] |
| M1 receptor/Muscarinic acetylcholine receptor M1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL216] [GtoPdb: 13] [UniProtKB: P11229] | ||||||||
| ChEMBL | Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB | B | 4.63 | pKi | 23442.29 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
| M2 receptor/Muscarinic acetylcholine receptor M2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172] | ||||||||
| ChEMBL | Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNB | B | 5.32 | pKi | 4786.3 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
| M3 receptor/Muscarinic acetylcholine receptor M3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL245] [GtoPdb: 15] [UniProtKB: P20309] | ||||||||
| ChEMBL | Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNB | B | 4.71 | pKi | 19498.45 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
| M4 receptor/Muscarinic acetylcholine receptor M4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1821] [GtoPdb: 16] [UniProtKB: P08173] | ||||||||
| ChEMBL | Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4) by displacement of 3H-QNB | B | 5.4 | pKi | 3981.07 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
| M5 receptor/Muscarinic acetylcholine receptor M5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2035] [GtoPdb: 17] [UniProtKB: P08912] | ||||||||
| ChEMBL | Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNB | B | 5.45 | pKi | 3548.13 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
| ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
| ChEMBL | Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells | B | 6.26 | pEC50 | 550 | nM | EC50 | Bioorg Med Chem (2008) 16: 362-373 [PMID:17936633] |
| 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL273] [GtoPdb: 1] [UniProtKB: P19327] | ||||||||
| ChEMBL | Displacement of [3H]5-HT from rat hippocampal 5-hydroxytryptamine 1A receptor with 10e-6 M ketanserin | B | 7.54 | pKi | 28.6 | nM | Ki | J Med Chem (1996) 39: 176-182 [PMID:8568804] |
| 5-HT3A/5-HT3B/Serotonin 3 (5-HT3) receptor in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2094116] [GtoPdb: 373, 374] [UniProtKB: P35563, Q9JJ16] | ||||||||
| ChEMBL | In vitro binding affinity at serotonin 5-hydroxytryptamine 3 receptor in rat cortex by [3H]granisetron displacement. | B | 6.15 | pKi | >700 | nM | Ki | J Med Chem (2004) 47: 2308-2317 [PMID:15084129] |
| Sigma-1 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4153] [UniProtKB: Q60492] | ||||||||
| ChEMBL | Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes | B | 7.87 | pKi | 13.6 | nM | Ki | Bioorg Med Chem (2017) 25: 4778-4799 [PMID:28764962] |
| ChEMBL | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane without cerebellum | B | 7.87 | pKi | 13.6 | nM | Ki | J Med Chem (2008) 51: 7523-7531 [PMID:19053780] |
| ChEMBL | Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum | B | 9.42 | pKi | 0.38 | nM | Ki | J Med Chem (2011) 54: 1022-1032 [PMID:21229979] |
| ChEMBL | Displacement of [3H]-pentazocine from sigma 1 receptor from guinea pig brain membrane | B | 9.42 | pKi | 0.38 | nM | Ki | J Med Chem (2011) 54: 5858-5867 [PMID:21744858] |
| ChEMBL | Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay | B | 9.42 | pKi | 0.38 | nM | Ki | Eur J Med Chem (2011) 46: 4733-4741 [PMID:21684636] |
| ChEMBL | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 120 mins by scintillation counting method | B | 9.42 | pKi | 0.38 | nM | Ki | J Med Chem (2018) 61: 9666-9690 [PMID:30350997] |
| ChEMBL | Displacement of [3H](+)-pentazocine from sigma1 receptor in quinea pig brain membranes | B | 9.42 | pKi | 0.38 | nM | Ki | J Med Chem (2018) 61: 9666-9690 [PMID:30350997] |
| ChEMBL | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain | B | 9.42 | pKi | 0.38 | nM | Ki | J Med Chem (2009) 52: 7817-7828 [PMID:19842660] |
| σ2/Sigma intracellular receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105907] [GtoPdb: 2553] [UniProtKB: Q5BJF2] | ||||||||
| GtoPdb | - | - | 8.3 | pKi | - | - | - | J Med Chem (1996) 39: 176-82 [PMID:8568804] |
| ChEMBL | Displacement of [3H]-DTG from the Sigma2 receptor | B | 8.6 | pKi | 2.51 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
| ChEMBL | Displacement of [H3]DTG from sigma 2 receptor (unknown origin) by competition binding assay | B | 9.17 | pKi | 0.68 | nM | Ki | Bioorg Med Chem (2022) 73: 117032-117032 [PMID:36202063] |
| ChEMBL | Binding affinity to sigma 2 receptor (unknown origin) assessed as inhibition constant | B | 9.17 | pKi | 0.68 | nM | Ki | J Med Chem (2023) 66: 3798-3817 [PMID:36919956] |
| ChEMBL | Binding affinity to sigma2 receptor (unknown origin) assessed as inhibition constant | B | 9.17 | pKi | 0.68 | nM | Ki | J Med Chem (2023) 66: 12499-12519 [PMID:37607512] |
| ChEMBL | Binding affinity to sigma-2 receptor (unknown origin) | B | 9.47 | pKi | 0.34 | nM | Ki | Eur J Med Chem (2018) 147: 227-237 [PMID:29438891] |
| σ2/Sigma intracellular receptor 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105864] [GtoPdb: 2553] [UniProtKB: Q5U3Y7] | ||||||||
| ChEMBL | Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins by scintillation counting method | B | 9.17 | pKi | 0.68 | nM | Ki | J Med Chem (2018) 61: 9666-9690 [PMID:30350997] |
| ChEMBL | Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes | B | 9.17 | pKi | 0.68 | nM | Ki | J Med Chem (2018) 61: 9666-9690 [PMID:30350997] |
| ChEMBL | Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine | B | 9.47 | pKi | 0.34 | nM | Ki | Bioorg Med Chem (2017) 25: 4778-4799 [PMID:28764962] |
| sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720] | ||||||||
| ChEMBL | Binding affinity to sigma-1 receptor (unknown origin) | B | 7.87 | pKi | 13.6 | nM | Ki | Eur J Med Chem (2018) 147: 227-237 [PMID:29438891] |
| ChEMBL | In vitro binding affinity at opioid sigma-1 receptor in guinea pig brain membranes by (+)-[3H]pentazocine displacement. | B | 7.87 | pKi | 13.6 | nM | Ki | J Med Chem (2004) 47: 2308-2317 [PMID:15084129] |
| ChEMBL | Binding affinity to sigma-1 receptor in human MCF7 cells | B | 7.89 | pKi | 13 | nM | Ki | Bioorg Med Chem (2014) 22: 221-233 [PMID:24331758] |
| ChEMBL | Displacement of (+)-[3H]pentazocine from sigma-1 receptor in human MCF7 cell membranes after 120 mins | B | 7.89 | pKi | 13 | nM | Ki | J Med Chem (2014) 57: 4239-4251 [PMID:24821398] |
| ChEMBL | Inhibition of [3H]DTG binding to sigma receptor from guinea pig brain cortex membrane | B | 8.28 | pKi | 5.3 | nM | Ki | J Med Chem (1996) 39: 176-182 [PMID:8568804] |
| ChEMBL | Displacement of [3H]-pentazocin from the Sigma1 receptor | B | 8.7 | pKi | 2 | nM | Ki | A SARS-CoV-2 protein interaction map reveals targets for drug repurposing |
| ChEMBL | Displacement of [H3]DTG from sigma 1 receptor (unknown origin) by competition binding assay | B | 9.42 | pKi | 0.38 | nM | Ki | Bioorg Med Chem (2022) 73: 117032-117032 [PMID:36202063] |
| ChEMBL | Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition constant | B | 9.42 | pKi | 0.38 | nM | Ki | J Med Chem (2023) 66: 3798-3817 [PMID:36919956] |
| ChEMBL | Binding affinity to sigma1 receptor (unknown origin) assessed as inhibition constant | B | 9.42 | pKi | 0.38 | nM | Ki | J Med Chem (2023) 66: 12499-12519 [PMID:37607512] |
| sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3602] [GtoPdb: 2552] [UniProtKB: Q9R0C9] | ||||||||
| ChEMBL | Inhibitory activity against Sigma opioid receptor type 1 isolated from whole rat membranes using [3H](+)-pentazocine as radioligand. | B | 7.15 | pKi | 71 | nM | Ki | J Med Chem (1996) 39: 176-182 [PMID:8568804] |
| ChEMBL | Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate | B | 8.83 | pKi | 1.48 | nM | Ki | J Med Chem (2008) 51: 1482-1486 [PMID:18278854] |
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]
