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 | Displacement of [3H]CP55940 from CB1 receptor | B | 7.39 | pKi | 41 | nM | Ki | Bioorg Med Chem (2012) 20: 2067-2081 [PMID:22341572] |
| 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 | 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 | 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 | Binding affinity to CB1 receptor (unknown origin) | B | 7.39 | pKi | 41 | nM | Ki | Bioorg Med Chem (2016) 24: 5291-5301 [PMID:27624523] |
| ChEMBL | Binding affinity to CB1 receptor (unknown origin) assessed as inhibition constant | B | 7.39 | pKi | 40.7 | nM | Ki | J Nat Prod (2024) 87: 167-175 [PMID:38355400] |
| 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 | Binding affinity to human CB1 receptor | B | 7.4 | pKi | 40 | nM | Ki | J Nat Prod (2020) 83: 88-98 [PMID:31891265] |
| 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] |
| 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 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]-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]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]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 | Binding affinity to CB2 receptor (unknown origin) assessed as inhibition constant | B | 7.44 | pKi | 36.4 | nM | Ki | J Nat Prod (2024) 87: 167-175 [PMID:38355400] |
| 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 | 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 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 | 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 | 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 CB2 receptor (unknown origin) | B | 7.44 | pKi | 36 | nM | Ki | Bioorg Med Chem (2016) 24: 5291-5301 [PMID:27624523] |
| 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] |
| TRPM8/Transient receptor potential cation channel subfamily M member 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075319] [GtoPdb: 500] [UniProtKB: Q7Z2W7] | ||||||||
| ChEMBL | Antagonist activity at TRPM8 (unknown origin) | B | 6.8 | pIC50 | 160 | nM | IC50 | J Med Chem (2016) 59: 10006-10029 [PMID:27437828] |
| 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 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]
