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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 |
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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 | 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 | 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 (unknown origin) | B | 7.87 | pKi | 13.6 | nM | Ki | Eur J Med Chem (2018) 147: 227-237 [PMID:29438891] |
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 |
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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]