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ChEMBL ligand: CHEMBL190461 (BTX-1204, BTX-1503, (-)-cannabidiol, Cannabidiol, Cannabidiol solution, Cardiolrx, (-)-cbd, CBD, .delta.1(2)-trans-cannabidiol, Epidiolex, GWP42003, GWP-42003, GWP-42003-P, GWP42003-P, (-)-trans-cannabidiol) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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Acetylcholinesterase in Electrophorus electricus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4078] [UniProtKB: O42275] | ||||||||
ChEMBL | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition and measured after 20 mins by Ellman's method | B | 4.77 | pIC50 | 17070 | nM | IC50 | Eur J Med Chem (2021) 223: 113735-113735 [PMID:34371367] |
α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089] | ||||||||
ChEMBL | Inhibition of alpha2B receptor (unknown origin) | B | 5.49 | pKi | 3200 | nM | Ki | J Med Chem (2020) 63: 12137-12155 [PMID:32804502] |
α2C-adrenoceptor/Alpha-2c adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1916] [GtoPdb: 27] [UniProtKB: P18825] | ||||||||
ChEMBL | Inhibition of alpha2C receptor (unknown origin) | B | 5.43 | pKi | 3700 | nM | Ki | J Med Chem (2020) 63: 12137-12155 [PMID:32804502] |
Fatty acid amide hydrolase/Anandamide amidohydrolase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3229] [GtoPdb: 1400] [UniProtKB: P97612] | ||||||||
ChEMBL | Inhibition of FAAH in rat brain membranes using [14C]-AEA as substrate measured after 30 mins by scintillation counting method | B | 4.27 | pIC50 | 53200 | nM | IC50 | J Nat Prod (2019) 82: 636-646 [PMID:30816712] |
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 | 3.64 | pKi | 3.64 | nM | Log Ki | J Med Chem (2000) 43: 2300-2309 [PMID:10882356] |
ChEMBL | Binding affinity to human CB1 receptor | B | 5.36 | pKi | 4350 | 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 | 5.36 | pKi | 4350 | nM | Ki | J Med Chem (2020) 63: 12137-12155 [PMID:32804502] |
ChEMBL | Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells | B | 5.62 | pKi | 2400 | nM | Ki | J Med Chem (2010) 53: 4332-4353 [PMID:20218623] |
ChEMBL | Displacement of [3H]-CP55940 from recombinant human CB1 receptor expressed in Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 mins by scintillation counting method | B | 5.84 | pKi | 1459 | nM | Ki | J Nat Prod (2019) 82: 636-646 [PMID:30816712] |
CB1 receptor/Cannabinoid CB1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3571] [GtoPdb: 56] [UniProtKB: P20272] | ||||||||
ChEMBL | Displacement of [3H]HU243 from CB1 receptor in Sabra rat brain | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (2006) 49: 1113-1117 [PMID:16451075] |
ChEMBL | Displacement of [3H]-HU-243 from CB1 receptor in Sabra rat brain synaptosomes after 90 mins | B | 5 | pKi | >10000 | nM | Ki | ACS Med Chem Lett (2016) 7: 424-428 [PMID:27096053] |
ChEMBL | Binding affinity for Cannabinoid receptor 1 by the ability to displace radiolabeled CP-55940 from purified rat forebrain synaptosomes | B | 5.9 | pKi | 1265 | nM | Ki | Bioorg Med Chem Lett (2002) 12: 3583-3586 [PMID:12443781] |
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 | 3.46 | pKi | 3.46 | nM | Log Ki | J Med Chem (2000) 43: 2300-2309 [PMID:10882356] |
ChEMBL | Displacement of [3H]CP-55940 from human cannabinoid CB2 receptor expressed in CHO cells | B | 5 | pKi | 10000 | nM | Ki | J Med Chem (2010) 53: 4332-4353 [PMID:20218623] |
ChEMBL | Binding affinity to human CB2 receptor | B | 5.54 | pKi | 2860 | 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 | 5.54 | pKi | 2860 | nM | Ki | J Med Chem (2020) 63: 12137-12155 [PMID:32804502] |
ChEMBL | Displacement of [3H]-CP55940 from recombinant human CB2 receptor expressed in Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 mins by scintillation counting method | B | 6.43 | pKi | 372 | nM | Ki | J Nat Prod (2019) 82: 636-646 [PMID:30816712] |
CB2 receptor/Cannabinoid CB2 receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5373] [GtoPdb: 57] [UniProtKB: P47936] | ||||||||
ChEMBL | Binding affinity for Cannabinoid receptor 2 by the ability to displace radiolabeled CP-55940 from mouse spleen synaptosomes | B | 6.64 | pKi | 230 | nM | Ki | Bioorg Med Chem Lett (2002) 12: 3583-3586 [PMID:12443781] |
Caspase 1/Caspase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4801] [GtoPdb: 1617] [UniProtKB: P29466] | ||||||||
ChEMBL | Binding affinity to recombinant human caspase-1 assessed as dissociation constant measured after 90 sec by SPR method | B | 7.73 | pKd | 18.8 | nM | Kd | J Nat Prod (2021) 84: 1563-1572 [PMID:33955754] |
Cholinesterase in Equus caballus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5763] [UniProtKB: P81908] | ||||||||
ChEMBL | Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition and measured after 20 mins by Ellman's method | B | 6.17 | pIC50 | 670 | nM | IC50 | Eur J Med Chem (2021) 223: 113735-113735 [PMID:34371367] |
δ receptor/Delta opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL236] [GtoPdb: 317] [UniProtKB: P41143] | ||||||||
ChEMBL | Inhibition of delta-type opioid receptor receptor (unknown origin) | B | 5.19 | pKi | 6400 | nM | Ki | J Med Chem (2020) 63: 12137-12155 [PMID:32804502] |
D1 receptor/Dopamine D1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2056] [GtoPdb: 214] [UniProtKB: P21728] | ||||||||
ChEMBL | Inhibition of D1 dopamine receptor (unknown origin) | B | 5.57 | pKi | 2700 | nM | Ki | J Med Chem (2020) 63: 12137-12155 [PMID:32804502] |
GPR55/G-protein coupled receptor 55 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075322] [GtoPdb: 109] [UniProtKB: Q9Y2T6] | ||||||||
GtoPdb | - | - | 6.46 | pIC50 | 350 | nM | IC50 |
Br J Pharmacol (2007) 152: 1092-101 [PMID:17876302]; Pharmacol Rev (2010) 62: 588-631 [PMID:21079038] |
ChEMBL | Binding affinity to GPR55 | B | 6.35 | pEC50 | 445 | nM | EC50 | J Med Chem (2010) 53: 4332-4353 [PMID:20218623] |
Heat sensitive channel TRPV3 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3879847] [UniProtKB: Q4QYD9] | ||||||||
ChEMBL | Antagonist activity at rat TRPV3 expressed in HEK293 cells assessed as inhibition of thymol-induced Ca2+ response preincubated for 5 mins followed by thymol addition by Fluo-4AM dye based fluorescence assay | B | 6.12 | pIC50 | 750 | nM | IC50 | J Nat Prod (2020) 83: 2727-2736 [PMID:32880179] |
ChEMBL | Agonist activity at rat TRPV3 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye based spectrofluorimetric method | B | 6.29 | pEC50 | 510 | nM | EC50 | J Nat Prod (2020) 83: 2727-2736 [PMID:32880179] |
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 | 4.29 | pIC50 | 51100 | nM | IC50 | Bioorg Med Chem Lett (2021) 54: 128442-128442 [PMID:34763083] |
H3 receptor/Histamine H3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL264] [GtoPdb: 264] [UniProtKB: Q9Y5N1] | ||||||||
ChEMBL | Inhibition of histamine H3 receptor (unknown origin) | B | 5.51 | pKi | 3100 | nM | Ki | J Med Chem (2020) 63: 12137-12155 [PMID:32804502] |
κ receptor/Kappa opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145] | ||||||||
ChEMBL | Inhibition of kappa-type opioid receptor (unknown origin) | B | 5.64 | pKi | 2300 | nM | Ki | J Med Chem (2020) 63: 12137-12155 [PMID:32804502] |
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 | 4.62 | pKi | 24000 | nM | Ki | J Nat Prod (2021) 84: 1469-1477 [PMID:33887133] |
μ receptor/Mu opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372] | ||||||||
ChEMBL | Inhibition of mu-type opioid receptor (unknown origin) | B | 5.89 | pKi | 1300 | nM | Ki | J Med Chem (2020) 63: 12137-12155 [PMID:32804502] |
N-Acylethanolamine acid amidase/N-acylsphingosine-amidohydrolase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4349] [GtoPdb: 1402] [UniProtKB: Q02083] | ||||||||
ChEMBL | Inhibition of recombinant human NAAA expressed in HEK293 cells using [14C]-N-palmitoylethanolamine as substrate measured after 30 mins by beta-counting method | B | 4 | pIC50 | >100000 | nM | IC50 | J Nat Prod (2019) 82: 636-646 [PMID:30816712] |
Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231] | ||||||||
ChEMBL | Agonist activity at GAL4-tagged PPARgamma (unknown origin) transiently expressed in HEK293T cells co-transfected with GAL4-tagged luc incubated for 6 hrs by dual luciferase reporter gene assay | B | 4.6 | pEC50 | >25000 | nM | EC50 | J Nat Prod (2020) 83: 1711-1715 [PMID:32315173] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 | F | 5.39 | pIC50 | 4100 | nM | IC50 | Bioorg Med Chem Lett (2021) 54: 128442-128442 [PMID:34763083] |
5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL214] [GtoPdb: 1] [UniProtKB: P08908] | ||||||||
ChEMBL | Displacement of [3H]8-OH-DPAT from human 5-HT1a receptor expressed in CHO cells incubated for 30 mins by liquid scintillation counting method | B | 5.1 | pEC50 | 8000 | nM | EC50 | J Med Chem (2020) 63: 12137-12155 [PMID:32804502] |
5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL322] [GtoPdb: 6] [UniProtKB: P14842] | ||||||||
ChEMBL | Displacement of [3H] ketanserin from rat 5-HT2aR expressed in mouse NIH/3T3 cells incubated for 30 mins by liquid scintillation counting method | B | 4.49 | pEC50 | 32000 | nM | EC50 | J Med Chem (2020) 63: 12137-12155 [PMID:32804502] |
5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335] | ||||||||
ChEMBL | Inhibition of 5-HT2C (unknown origin) | B | 5.96 | pKi | 1100 | nM | Ki | J Med Chem (2020) 63: 12137-12155 [PMID:32804502] |
σ2/Sigma intracellular receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105907] [GtoPdb: 2553] [UniProtKB: Q5BJF2] | ||||||||
ChEMBL | Inhibition of sigma2 receptor (unknown origin) | B | 5.47 | pKi | 3400 | nM | Ki | J Med Chem (2020) 63: 12137-12155 [PMID:32804502] |
diacylglycerol lipase α/Sn1-specific diacylglycerol lipase alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5545] [GtoPdb: 1396] [UniProtKB: Q9Y4D2] | ||||||||
ChEMBL | Inhibition of recombinant human DAGLalpha expressed in COS7 cells using [14C]-oleoyl-2-arachidonoyl-glycerol as substrate measured after 20 mins by beta-counting method | B | 4 | pIC50 | >100000 | nM | IC50 | J Nat Prod (2019) 82: 636-646 [PMID:30816712] |
TRPA1/Transient receptor potential cation channel subfamily A member 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5160] [GtoPdb: 485] [UniProtKB: Q6RI86] | ||||||||
ChEMBL | Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of allylisothiocyanate-induced Ca2+ response preincubated for 5 mins followed by allylisothiocyanate addition by Fluo-4AM dye based fluorescence assay | B | 6.35 | pIC50 | 450 | nM | IC50 | J Nat Prod (2020) 83: 2727-2736 [PMID:32880179] |
ChEMBL | Agonist activity at rat TRPA1 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of allylisothiocyanate by Fluo-4-AM dye based spectrofluorimetric method | B | 6.32 | pEC50 | 480 | nM | EC50 | J Nat Prod (2020) 83: 2727-2736 [PMID:32880179] |
ChEMBL | Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as increase in intracellular calcium influx | F | 7.02 | pEC50 | 96 | nM | EC50 | J Med Chem (2010) 53: 5085-5107 [PMID:20356305] |
TRPM8/Transient receptor potential cation channel subfamily M member 8 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5011] [GtoPdb: 500] [UniProtKB: Q8R455] | ||||||||
ChEMBL | Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced Ca2+ response preincubated for 5 mins followed by icilin addition by Fluo-4AM dye based fluorescence assay | B | 5.55 | pIC50 | 2800 | nM | IC50 | J Nat Prod (2020) 83: 2727-2736 [PMID:32880179] |
TRPV2 in Human [GtoPdb: 508] [UniProtKB: Q9Y5S1] | ||||||||
GtoPdb | - | - | 4.5 | pEC50 | 31700 | nM | EC50 | J Neurosci (2008) 28: 6231-8 [PMID:18550765] |
TRPV2/Transient receptor potential cation channel subfamily V member 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2863] [GtoPdb: 508] [UniProtKB: Q9WUD2] | ||||||||
ChEMBL | Antagonist activity at rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ response preincubated for 5 mins followed by LPC addition by Fluo-4AM dye based fluorescence assay | B | 5.96 | pIC50 | 1100 | nM | IC50 | J Nat Prod (2020) 83: 2727-2736 [PMID:32880179] |
GtoPdb | - | - | 5.43 | pEC50 | 3700 | nM | EC50 | J Neurosci (2008) 28: 6231-8 [PMID:18550765] |
ChEMBL | Agonist activity at rat TRPV2 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye based spectrofluorimetric method | B | 5.92 | pEC50 | 1200 | nM | EC50 | J Nat Prod (2020) 83: 2727-2736 [PMID:32880179] |
TRPV4/Transient receptor potential cation channel subfamily V member 4 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2775] [GtoPdb: 510] [UniProtKB: Q9ERZ8] | ||||||||
ChEMBL | Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK1016790A-induced Ca2+ response preincubated for 5 mins followed by GSK1016790A addition by Fluo-4AM dye based fluorescence assay | B | 5.23 | pIC50 | 5900 | nM | IC50 | J Nat Prod (2020) 83: 2727-2736 [PMID:32880179] |
ChEMBL | Agonist activity at rat TRPV4 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye based spectrofluorimetric method | B | 6.05 | pEC50 | 900 | nM | EC50 | J Nat Prod (2020) 83: 2727-2736 [PMID:32880179] |
TRPV1/Vanilloid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4794] [GtoPdb: 507] [UniProtKB: Q8NER1] | ||||||||
ChEMBL | Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ response preincubated for 5 mins followed by capsaicin addition by Fluo-4AM dye based fluorescence assay | B | 5.43 | pIC50 | 3700 | nM | IC50 | J Nat Prod (2020) 83: 2727-2736 [PMID:32880179] |
ChEMBL | Agonist activity at human TRPV1 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye based spectrofluorimetric method | B | 5.39 | pEC50 | 4100 | nM | EC50 | J Nat Prod (2020) 83: 2727-2736 [PMID:32880179] |
Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3762] [GtoPdb: 529] [UniProtKB: P22002] | ||||||||
ChEMBL | Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in rat ventricular myocytes | F | 7 | pIC50 | 100 | nM | IC50 | IC50 data for the L-type calcium channel extracted from a set of literature articles |
GPR18 in Human [GtoPdb: 89] [UniProtKB: Q14330] | ||||||||
GtoPdb | - | - | 4.29 | pEC50 | 51100 | nM | EC50 | Br J Pharmacol (2012) 165: 2414-24 [PMID:21595653] |
TRPV3 in Rat [GtoPdb: 509] | ||||||||
GtoPdb | Calcium imaging | - | 5.43 | pEC50 | 3700 | nM | EC50 | Acta Physiol (Oxf) (2012) 204: 255-66 [PMID:21726418] |
ChEMBL data shown on this page come from version 32:
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]