Δ9-tetrahydrocannabinol [Ligand Id: 2424] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL465 (ABBOTT 40566, ABBOTT-40566, .delta.1-thc, .delta.-9-tetrahydrocannabinol, .delta.9-tetrahydrocannabinol, Delta-9-tetrahydrocannabinol, .delta.9-thc, Delta-9-thc, Dronabinol, J882F, Marinol, NSC-134454, QCD 84924, QCD-84924, SP 104, SP-104, Syndros, Tetrahydrocannabinol, Tetrahydrocannabinols (-)-trans-.delta.9-form) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Fatty acid amide hydrolase/Anandamide amidohydrolase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2243] [GtoPdb: 1400] [UniProtKB: O00519] | ||||||||
| ChEMBL | Inhibition of FAAH (unknown origin) in human U-937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate addition measured after 15 mins by liquid scintillation spectroscopy | B | 4.36 | pIC50 | 43600 | nM | IC50 | J Nat Prod (2021) 84: 2502-2510 [PMID:34304557] |
| CB1 receptor/Cannabinoid CB1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL218] [GtoPdb: 56] [UniProtKB: P21554] | ||||||||
| ChEMBL | Binding affinity towards cloned human Cannabinoid receptor 1 | B | 1.6 | pKi | 1.6 | nM | Log Ki | J Med Chem (2000) 43: 2300-2309 [PMID:10882356] |
| ChEMBL | Binding affinity was determined for Cannabinoid receptor 1 | B | 7.39 | pKi | 41 | nM | Ki | J Med Chem (2000) 43: 3778-3785 [PMID:11020293] |
| ChEMBL | Binding affinity to CB1 receptor (unknown origin) | B | 7.39 | pKi | 41 | nM | Ki | Bioorg Med Chem (2016) 24: 5291-5301 [PMID:27624523] |
| ChEMBL | Displacement of [3H]CP55940 from CB1 receptor | B | 7.39 | pKi | 41 | nM | Ki | Bioorg Med Chem (2012) 20: 2067-2081 [PMID:22341572] |
| ChEMBL | Compound was evaluated for Pharmacological response in the Cannabinoid receptor 1 | B | 7.39 | pKi | 41 | nM | Ki | J Med Chem (1996) 39: 3875-3877 [PMID:8831752] |
| ChEMBL | Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) | B | 7.39 | pKi | 41 | nM | Ki | J Med Chem (1998) 41: 4400-4407 [PMID:9784115] |
| ChEMBL | Binding affinity to human CB1 receptor | B | 7.39 | pKi | 40.7 | nM | Ki | J Med Chem (2013) 56: 8224-8256 [PMID:23865723] |
| ChEMBL | Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cells incubated for 1 hr by liquid scintillation spectrometry | B | 7.39 | pKi | 40.7 | nM | Ki | J Med Chem (2020) 63: 12137-12155 [PMID:32804502] |
| ChEMBL | Displacement of [3H]CP-55940 from CB1 receptor | B | 7.4 | pKi | 40 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 1424-1426 [PMID:20079638] |
| ChEMBL | Binding affinity to human CB1 receptor | B | 7.4 | pKi | 40 | nM | Ki | J Nat Prod (2020) 83: 88-98 [PMID:31891265] |
| GtoPdb | - | - | 7.4 | pKi | - | - | - |
Mol Pharmacol (1995) 48: 443-50 [PMID:7565624]; J Pharmacol Exp Ther (1996) 278: 989-99 [PMID:8819477] |
| ChEMBL | Binding affinity towards Cannabinoid receptor 1 using CP-55940 as radioligand in HEK293 EBNA cells | B | 7.55 | pKi | 28.5 | nM | Ki | Bioorg Med Chem Lett (2003) 13: 3487-3490 [PMID:14505654] |
| ChEMBL | Displacement of [3H]CP55940 from human CB1 receptor transfected in CHO cells measured for 1.5 hrs by liquid scintillation counting analysis | B | 7.66 | pKi | 22 | nM | Ki | J Nat Prod (2021) 84: 2502-2510 [PMID:34304557] |
| ChEMBL | Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in CHO-K1 cells by liquid scintillation counting | B | 7.66 | pKi | 22 | nM | Ki | Eur J Med Chem (2014) 85: 77-86 [PMID:25072877] |
| ChEMBL | Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysis | B | 7.74 | pKi | 18 | nM | Ki | J Nat Prod (2015) 78: 1271-1276 [PMID:26000707] |
| ChEMBL | Binding affinity to human CB1 receptor | B | 7.77 | pKi | 17 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 3925-3929 [PMID:17531479] |
| ChEMBL | Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells | B | 8 | pKi | 10 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 1619-1624 [PMID:22284817] |
| ChEMBL | Displacement of [3H]-CP55,940 from human CB1 receptor transfected in CHOK1 cells | B | 8.41 | pKi | 3.88 | nM | Ki | J Med Chem (2013) 56: 4798-4810 [PMID:23679955] |
| ChEMBL | Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in CHO-K1 cells | B | 8.41 | pKi | 3.88 | nM | Ki | Medchemcomm (2014) 5: 632-649 |
| ChEMBL | Displacement of [3H]CP-55940 from human CB1 receptor | B | 8.54 | pKi | 2.9 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 3695-3700 [PMID:18522867] |
| ChEMBL | Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins | B | 8.55 | pIC50 | 2.8 | nM | IC50 | J Nat Prod (2011) 74: 2313-2317 [PMID:21999614] |
| ChEMBL | Partial agonist activity at human cannabinoid CB1 receptor expressed in CHO-K1 cells assessed as [S35]GTPgammaS binding by scintillation counting | F | 7.11 | pEC50 | 77.5 | nM | EC50 | Eur J Med Chem (2014) 85: 77-86 [PMID:25072877] |
| ChEMBL | Partial agonist activity at human CB1 receptor transfected in CHO cells incubated for 90 mins by scintillation counting based [35S]GTP-gamma-S-binding assay | F | 7.37 | pEC50 | 43 | nM | EC50 | J Nat Prod (2021) 84: 2502-2510 [PMID:34304557] |
| ChEMBL | Agonist activity at human CB1 receptor expressed in HEK293 EBNA cells by [35S]GTPgamma binding assay | F | 7.77 | pEC50 | 17 | nM | EC50 | Bioorg Med Chem Lett (2012) 22: 1619-1624 [PMID:22284817] |
| CB1 receptor/Cannabinoid CB1 receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3037] [GtoPdb: 56] [UniProtKB: P47746] | ||||||||
| ChEMBL | Binding affinity for Cannabinoid receptor 1 in absence of phenylmethylsulfonyl fluoride (PMSF) | B | 7.39 | pKi | 41 | nM | Ki | J Med Chem (1997) 40: 3617-3625 [PMID:9357528] |
| ChEMBL | Binding affinity to mouse CB1 receptor | B | 7.4 | pKi | 40 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 3925-3929 [PMID:17531479] |
| ChEMBL | Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis | B | 7.82 | pKi | 15.3 | nM | Ki | Drug Metab Dispos (2012) 40: 2174-2184 [PMID:22904561] |
| ChEMBL | [35S]GTPγS Binding Assay: [35S]GTPγS binding was performed as previously described [Brents et al., PLoS One, 6:e21917]. Briefly, 25 μg of mouse brain homogenates were incubated for 30 minutes at 30° C. with 0.1 nM [35S]GTPγS, 10 μM GDP, and either cannabinoid+/−antagonist, 10 μM unlabeled GTPγS (non-specific binding) or vehicle (total binding), in triplicate, in a volume of 1 mL of buffer containing 20 mM HEPES, 10 mM MgCl2, 100 mM NaCl, 20 units/L adenosine deaminase, 0.05% BSA and the appropriate DMSO (0.1%) and/or ethanol (<0.2%) vehicle. Assay buffer containing 100 mM KCl, instead of 100 mM NaCl, was used to increase basal G-protein activity in experiments examining inverse agonism. Reactions were terminated by quick vacuum filtration through Whatman GF/B glass fiber filters, followed by five washes with ice-cold buffer (20 mM HEPES, 0.05% BSA). Filters were immediately placed into 7 mL scintillation vials to which 4 mL of ScintiVerse™ BD Cocktail scintillation fluid was added. Bound radioactivity was determined after overnight incubation at room temperature and shaking by liquid scintillation spectrophotometry with an efficiency of 93% (Tri Carb 2100 TR Liquid Scintillation Analyzer, Packard Instrument Company, Meriden, Conn.). | B | 7.11 | pEC50 | 77 | nM | EC50 | US-9416103-B2. Use of the aminoalkylindole JWH-073-M4 and related compounds as neutral CB1 receptor antagonists for the treatment of alcoholism, drug abuse, obesity, and obesity-related diseases (2016) |
| CB1 receptor/Cannabinoid CB1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3571] [GtoPdb: 56] [UniProtKB: P20272] | ||||||||
| ChEMBL | Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat CB1. | B | 7.1 | pKi | 80.3 | nM | Ki | J Med Chem (1997) 40: 3228-3233 [PMID:9379442] |
| ChEMBL | Binding affinity for Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat brain synaptosomal membrane preparations. | B | 7.18 | pKi | 66.5 | nM | Ki | J Med Chem (1997) 40: 3228-3233 [PMID:9379442] |
| ChEMBL | Compound was evaluated for its ability to displace specifically bound [3H]CP-55940 from a Cannabinoid receptor 1 enriched rat brain microsome preparation. | B | 7.32 | pKi | 47.6 | nM | Ki | J Med Chem (1996) 39: 3790-3796 [PMID:8809166] |
| ChEMBL | Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane | B | 7.39 | pKi | 41 | nM | Ki | Bioorg Med Chem (2008) 16: 322-335 [PMID:17919913] |
| ChEMBL | Binding affinity to displace [3H]CP-55940 from CB1 receptor of rat brain | B | 7.39 | pKi | 41 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 4110-4113 [PMID:16005223] |
| ChEMBL | Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain cortex membranes | B | 7.39 | pKi | 41 | nM | Ki | Bioorg Med Chem (2010) 18: 5475-5482 [PMID:20621488] |
| ChEMBL | Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membranes after 1 hr by liquid scintillation spectrophotometry | B | 7.39 | pKi | 41 | nM | Ki | Bioorg Med Chem (2010) 18: 7809-7815 [PMID:20943404] |
| ChEMBL | Displacement of [3H]CP55940 from rat brain CB1 receptor by scintillation counting method | B | 7.4 | pKi | 39.5 | nM | Ki | Bioorg Med Chem Lett (2021) 38: 127882-127882 [PMID:33636308] |
| ChEMBL | Displacement of [3H]CP55940 from rat brain CB1 receptor | B | 7.4 | pKi | 39.5 | nM | Ki | ACS Med Chem Lett (2014) 5: 400-404 [PMID:24900848] |
| ChEMBL | Binding affinity for cannabinoid receptor 1 | B | 7.43 | pKi | 37 | nM | Ki | J Med Chem (2005) 48: 5059-5087 [PMID:16078824] |
| ChEMBL | Displacement of [3H]HU-243 from CB1 receptor in Sprague-Dawley rat brain incubated for 90 mins | B | 7.44 | pKi | 36 | nM | Ki | Eur J Med Chem (2016) 112: 66-80 [PMID:26890113] |
| ChEMBL | Concentration of compound required to inhibit 50% of [3H]WIN-55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes. | B | 8.24 | pIC50 | 5.8 | nM | IC50 | J Med Chem (1995) 38: 3094-3105 [PMID:7636873] |
| ChEMBL | Displacement of [35S]GTP-gamma-S from rat cerebellar CB1 receptor | F | 6.7 | pEC50 | 199.53 | nM | EC50 | J Med Chem (2006) 49: 554-566 [PMID:16420041] |
| ChEMBL | Effective concentration for inhibition of Cannabinoid receptor 1-mediated adenylyl cyclase activity using African green monkey (COS-7) cells transfected with the cDNA of rat CB1 receptor | F | 7.96 | pEC50 | 11 | nM | EC50 | J Med Chem (1997) 40: 3228-3233 [PMID:9379442] |
| CB2 receptor/Cannabinoid CB2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL253] [GtoPdb: 57] [UniProtKB: P34972] | ||||||||
| ChEMBL | Binding affinity towards cloned human cannabinoid receptor 2 | B | 1.56 | pKi | 1.56 | nM | Log Ki | J Med Chem (2000) 43: 2300-2309 [PMID:10882356] |
| ChEMBL | Displacement of [3H]-CP55,940 from human CB2 receptor transfected in CHOK1 cells | B | 7.15 | pKi | 71.6 | nM | Ki | J Med Chem (2013) 56: 4798-4810 [PMID:23679955] |
| ChEMBL | Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cells | B | 7.15 | pKi | 71.6 | nM | Ki | Medchemcomm (2014) 5: 632-649 |
| ChEMBL | Displacement of [3H]CP55940 from human CB2 receptor transfected in CHO cells measured for 1.5 hrs by liquid scintillation counting analysis | B | 7.33 | pKi | 47 | nM | Ki | J Nat Prod (2021) 84: 2502-2510 [PMID:34304557] |
| ChEMBL | Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting | B | 7.34 | pKi | 46 | nM | Ki | Eur J Med Chem (2014) 85: 77-86 [PMID:25072877] |
| ChEMBL | Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysis | B | 7.38 | pKi | 42 | nM | Ki | J Nat Prod (2015) 78: 1271-1276 [PMID:26000707] |
| ChEMBL | Displacement of [3H]CP-55940 from human CB2 receptor | B | 7.39 | pKi | 41 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 3695-3700 [PMID:18522867] |
| ChEMBL | Agonist activity at CB2 receptor (unknown origin) | B | 7.4 | pKi | 40 | nM | Ki | Eur J Med Chem (2016) 124: 17-35 [PMID:27560280] |
| ChEMBL | Binding affinity to human CB2 receptor | B | 7.44 | pKi | 36.4 | nM | Ki | J Med Chem (2013) 56: 8224-8256 [PMID:23865723] |
| ChEMBL | Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cell membrane by scintillation counting method | B | 7.44 | pKi | 36.4 | nM | Ki | Bioorg Med Chem Lett (2021) 38: 127882-127882 [PMID:33636308] |
| ChEMBL | Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cells incubated for 1 hr by liquid scintillation spectrometry | B | 7.44 | pKi | 36.4 | nM | Ki | J Med Chem (2020) 63: 12137-12155 [PMID:32804502] |
| ChEMBL | Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells after 1 hr by liquid scintillation spectrometry analysis | B | 7.44 | pKi | 36 | nM | Ki | Bioorg Med Chem (2010) 18: 5475-5482 [PMID:20621488] |
| ChEMBL | Binding affinity was determined for Cannabinoid receptor 2 | B | 7.44 | pKi | 36 | nM | Ki | J Med Chem (2000) 43: 3778-3785 [PMID:11020293] |
| ChEMBL | Ability to bind with Cannabinoid receptor 2 using [H]CP-55940 as radioligand from cloned human receptor preparation | B | 7.44 | pKi | 36 | nM | Ki | J Med Chem (1996) 39: 3875-3877 [PMID:8831752] |
| ChEMBL | Binding affinity to displace [3H]CP-55940 from cloned human CB2 receptor | B | 7.44 | pKi | 36 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 4110-4113 [PMID:16005223] |
| ChEMBL | Displacement of [3H]CP-55940 from human cloned CB2 receptor | B | 7.44 | pKi | 36 | nM | Ki | Bioorg Med Chem (2008) 16: 322-335 [PMID:17919913] |
| ChEMBL | Displacement of [3H]CP-55940 from CB2 receptor | B | 7.44 | pKi | 36 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 1424-1426 [PMID:20079638] |
| ChEMBL | Binding affinity to CB2 receptor (unknown origin) | B | 7.44 | pKi | 36 | nM | Ki | Bioorg Med Chem (2016) 24: 5291-5301 [PMID:27624523] |
| ChEMBL | Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells after 1 hr by liquid scintillation spectrophotometry | B | 7.44 | pKi | 36 | nM | Ki | Bioorg Med Chem (2010) 18: 7809-7815 [PMID:20943404] |
| ChEMBL | Binding affinity to human CB2 receptor by filtration assay | B | 7.44 | pKi | 36 | nM | Ki | Bioorg Med Chem (2012) 20: 2067-2081 [PMID:22341572] |
| ChEMBL | Binding affinity to Cannabinoid receptor 2 using African green monkey (COS-7) cells Chinese hamster ovary(CHO) cells transfected with the cDNA of human CB2 | B | 7.49 | pKi | 32.2 | nM | Ki | J Med Chem (1997) 40: 3228-3233 [PMID:9379442] |
| GtoPdb | - | - | 7.5 | pKi | - | - | - |
Mol Pharmacol (1995) 48: 443-50 [PMID:7565624]; J Pharmacol Exp Ther (1996) 278: 989-99 [PMID:8819477]; J Med Chem (1997) 40: 3228-33 [PMID:9379442]; J Biol Chem (1996) 271: 9902-5 [PMID:8626625] |
| ChEMBL | Binding affinity towards Cannabinoid receptor 2 using CP-55940 as radioligand in HEK293 EBNA cells | B | 7.6 | pKi | 25 | nM | Ki | Bioorg Med Chem Lett (2003) 13: 3487-3490 [PMID:14505654] |
| ChEMBL | Binding affinity to human CB2 receptor | B | 7.62 | pKi | 24 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 1619-1624 [PMID:22284817] |
| ChEMBL | Binding affinity to human CB2 receptor | B | 8.48 | pKi | 3.3 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 3925-3929 [PMID:17531479] |
| ChEMBL | Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins | B | 8.02 | pIC50 | 9.5 | nM | IC50 | J Nat Prod (2011) 74: 2313-2317 [PMID:21999614] |
| ChEMBL | Partial agonist activity at human cannabinoid CB2 receptor expressed in CHO-K1 cells assessed as [S35]GTPgammaS binding by scintillation counting | F | 7.91 | pEC50 | 12.3 | nM | EC50 | Eur J Med Chem (2014) 85: 77-86 [PMID:25072877] |
| ChEMBL | Partial agonist activity at human CB2 receptor transfected in CHO cells incubated for 90 mins by scintillation counting based [35S]GTP-gamma-S-binding assay | F | 7.92 | pEC50 | 12 | nM | EC50 | J Nat Prod (2021) 84: 2502-2510 [PMID:34304557] |
| ChEMBL | Agonist activity at cloned human CB2 receptor in Sf9 cells assessed as stimulation of [35S]GTPgammaS binding assay | F | 8.82 | pEC50 | 1.5 | nM | EC50 | Bioorg Med Chem Lett (2008) 18: 3695-3700 [PMID:18522867] |
| CB2 receptor/Cannabinoid CB2 receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5373] [GtoPdb: 57] [UniProtKB: P47936] | ||||||||
| ChEMBL | Displacement of [3H]CP55940 from mouse brain CB2 receptor expressed in HEK293 cells | B | 7.4 | pKi | 40 | nM | Ki | ACS Med Chem Lett (2014) 5: 400-404 [PMID:24900848] |
| ChEMBL | Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membrane by scintillation counting method | B | 7.4 | pKi | 40 | nM | Ki | Bioorg Med Chem Lett (2021) 38: 127882-127882 [PMID:33636308] |
| ChEMBL | Compound was evaluated for its ability to displace specifically bound [3H]CP-55940 from a Cannabinoid receptor 2 enriched mouse spleen preparation. | B | 7.41 | pKi | 39.3 | nM | Ki | J Med Chem (1996) 39: 3790-3796 [PMID:8809166] |
| ChEMBL | Binding affinity to mouse CB2 receptor | B | 8.04 | pKi | 9.2 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 3925-3929 [PMID:17531479] |
| ChEMBL | Inverse agonist activity at mouse CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-mediated cAMP accumulation after 5 mins by fluorescence assay | F | 8.14 | pEC50 | 7.3 | nM | EC50 | J Med Chem (2018) 61: 9841-9878 [PMID:29939744] |
| D3 receptor/Dopamine D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462] | ||||||||
| ChEMBL | Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay | F | 7.99 | pEC50 | 10.2 | nM | EC50 | J Med Chem (2017) 60: 2287-2304 [PMID:28182408] |
| glycine receptor α1 subunit/Glycine receptor subunit alpha-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5845] [GtoPdb: 423] [UniProtKB: P23415] | ||||||||
| GtoPdb | - | - | 5.5 | pEC50 | ~3000 | nM | EC50 | |
| ChEMBL | Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-electrode voltage clamp assay | B | 5.89 | pEC50 | 1300 | nM | EC50 | J Med Chem (2015) 58: 2958-2966 [PMID:25790278] |
| GPR55/G-protein coupled receptor 55 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075322] [GtoPdb: 109] [UniProtKB: Q9Y2T6] | ||||||||
| ChEMBL | Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibition of LPI-induced beta-arrestin recruitment incubated 60 mins prior to LPI addition by beta-arrestin translocation assay | B | 4.85 | pIC50 | 14200 | nM | IC50 | J Med Chem (2013) 56: 4798-4810 [PMID:23679955] |
| ChEMBL | Agonist activity at human GPR55 expressed in CHO cells assessed as induction of LPI-induced beta-arrestin recruitment by beta-galactosidase enzyme fragment complementation method | B | 4.85 | pEC50 | 14200 | nM | EC50 | Medchemcomm (2014) 5: 632-649 |
| ChEMBL | Agonist activity at Prolink1-tagged human GPR55 receptor expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase based topcount luminescence analysis | B | 5 | pEC50 | >10000 | nM | EC50 | ACS Med Chem Lett (2020) 11: 2024-2031 [PMID:33062188] |
| GtoPdb | - | - | 8.1 | pEC50 | 8 | nM | EC50 | Br J Pharmacol (2007) 152: 1092-101 [PMID:17876302] |
| Hemozoin in Plasmodium falciparum (target type: MACROMOLECULE) [ChEMBL: CHEMBL613898] | ||||||||
| ChEMBL | Inhibition of Beta-hematin in Plasmodium falciparum cells assessed as hemozoin formation after 32 hrs by NP40 detergent-mediated assay | B | 4.95 | pIC50 | 11300 | nM | IC50 | Bioorg Med Chem Lett (2021) 54: 128442-128442 [PMID:34763083] |
| L-lactate dehydrogenase A chain in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4835] [UniProtKB: P00338] | ||||||||
| ChEMBL | Non-competitive inhibition of human LDHA assessed as reduction in lactate production using pyruvate as substrate in presence of NADH by Lineweaver-Burk plot analysis | B | 4.85 | pKi | 14000 | nM | Ki | J Nat Prod (2021) 84: 1469-1477 [PMID:33887133] |
| αβ-Hydrolase 12/Monoacylglycerol lipase ABHD12 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5516] [GtoPdb: 3070] [UniProtKB: Q8N2K0] | ||||||||
| ChEMBL | Inhibition of human ABHD12 transfected in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition measured after 5 mins by liquid scintillation spectroscopy | B | 4.94 | pIC50 | 11600 | nM | IC50 | J Nat Prod (2021) 84: 2502-2510 [PMID:34304557] |
| αβ-Hydrolase 6/Monoacylglycerol lipase ABHD6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2189127] [GtoPdb: 2919] [UniProtKB: Q9BV23] | ||||||||
| ChEMBL | Inhibition of human ABHD6 transfected in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition measured after 5 mins by liquid scintillation spectroscopy | B | 4.32 | pIC50 | 48200 | nM | IC50 | J Nat Prod (2021) 84: 2502-2510 [PMID:34304557] |
| monoacylglycerol lipase/Monoglyceride lipase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4191] [GtoPdb: 1399] [UniProtKB: Q99685] | ||||||||
| ChEMBL | Inhibition of MAGL (unknown origin) in human U-937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate addition measured after 15 mins by liquid scintillation spectroscopy | B | 4 | pIC50 | >100000 | nM | IC50 | J Nat Prod (2021) 84: 2502-2510 [PMID:34304557] |
| GPR18/N-arachidonyl glycine receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2384898] [GtoPdb: 89] [UniProtKB: Q14330] | ||||||||
| ChEMBL | Agonist activity at human GPR18 transfected in CHO cells after 90 mins by beta-arrestin translocation assay | B | 5.34 | pEC50 | 4610 | nM | EC50 | J Med Chem (2013) 56: 4798-4810 [PMID:23679955] |
| ChEMBL | Agonist activity at human GPR18 expressed in CHO cells assessed as induction of beta-arrestin recruitment by beta-galactosidase enzyme fragment complementation method | B | 5.34 | pEC50 | 4610 | nM | EC50 | Medchemcomm (2014) 5: 632-649 |
| ChEMBL | Agonist activity at human GPR18 expressed in HEK203 cells by MAP kinase assay | B | 6.02 | pEC50 | 960 | nM | EC50 | Medchemcomm (2014) 5: 632-649 |
| GtoPdb | - | - | 6.02 | pEC50 | 960 | nM | EC50 |
Br J Pharmacol (2012) 165: 2414-24 [PMID:21595653]; Br J Pharmacol (2012) 165: 2411-3 [PMID:22014123] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 | F | 6.1 | pIC50 | 790 | nM | IC50 | Bioorg Med Chem Lett (2021) 54: 128442-128442 [PMID:34763083] |
| ChEMBL | Antiplasmodial activity against multidrug-resistant Plasmodium falciparum K1 | F | 6.14 | pIC50 | 720 | nM | IC50 | Bioorg Med Chem Lett (2021) 54: 128442-128442 [PMID:34763083] |
| TRPA1 in Human [GtoPdb: 485] [UniProtKB: O75762] | ||||||||
| GtoPdb | - | - | 4.9 | pEC50 | 12589 | nM | EC50 | Nature (2004) 427: 260-5 [PMID:14712238] |
| TRPA1/Transient receptor potential cation channel subfamily A member 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5160] [GtoPdb: 485] [UniProtKB: Q6RI86] | ||||||||
| ChEMBL | Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as increase in intracellular calcium influx | F | 6.64 | pEC50 | 230 | nM | EC50 | J Med Chem (2010) 53: 5085-5107 [PMID:20356305] |
| glycine receptor α2 subunit in Human [GtoPdb: 424] [UniProtKB: P23416] | ||||||||
| GtoPdb | - | - | 6 | pEC50 | ~1000 | nM | EC50 | |
| glycine receptor α3 subunit in Human [GtoPdb: 425] [UniProtKB: O75311] | ||||||||
| GtoPdb | - | - | 5.3 | pEC50 | ~5000 | nM | EC50 | |
| TRPV2 in Rat [GtoPdb: 508] [UniProtKB: Q9WUD2] | ||||||||
| GtoPdb | - | - | 4.85 | pEC50 | 14000 | nM | EC50 | J Neurosci (2008) 28: 6231-8 [PMID:18550765] |
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]
