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ChEMBL ligand: CHEMBL714 (Accuneb, Aerolin, Aerolin 400, Aerolin auto, Airomir, Airsalb, Albuterol, Asmasal clickhaler, Asmasal spacehaler, Asmaven, Asmavent, Cobutolin, Combivent, Combivent udvs, Duoneb, Etinoline, Ipramol steri-neb, Kentamol, Libetist, Maxivent, NSC-757417, Proair Hfa, Proventil, Proventil Hfa, PROVENTIL-HFA, Rimasal, Salamol e-breathe, Salapin, Salbulin novolizer, Salbutamol, Salbutamolum, Salbuvent, Salipraneb, SCH 13949W, SCH-13949W, Steri-neb salamol, Ventmax sr, Ventodisks, Ventolin, Ventolin cr, Ventoline, Ventolin e-breathe, Ventolin Hfa, Volmax) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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β1-adrenoceptor/Beta-1 adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL213] [GtoPdb: 28] [UniProtKB: P08588] | ||||||||
ChEMBL | Agonist activity at human beta1 adrenoceptor expressed in CHO cells assessed as increase in intracellular cAMP level incubated for 1 hr by alphascreen technology | F | 5.93 | pEC50 | 1170 | nM | EC50 | J Med Chem (2020) 63: 15218-15242 [PMID:33213146] |
β2-adrenoceptor/Beta-2 adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL210] [GtoPdb: 29] [UniProtKB: P07550] | ||||||||
ChEMBL | Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes assessed as intrinsic Kd by liquid scintillation counting | B | 5.85 | pKd | 1400 | nM | Kd | J Med Chem (2016) 59: 5780-5789 [PMID:27239696] |
ChEMBL | Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting | B | 6.66 | pKd | 220 | nM | Kd | J Med Chem (2016) 59: 5780-5789 [PMID:27239696] |
ChEMBL | Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay | B | 5.74 | pKi | 1828 | nM | Ki | J Med Chem (2010) 53: 3675-3684 [PMID:20402514] |
GtoPdb | - | - | 6.1 | pKi | 794 | nM | Ki |
Mol Pharmacol (1999) 56: 875-85 [PMID:10531390]; Br J Pharmacol (2005) 144: 317-22 [PMID:15655528] |
ChEMBL | DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177) | B | 6.25 | pKi | 557 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | Displacement of [3H]CGP1217 from human recombinant adrenergic beta2 receptor transfected in insect Sf9 cells by scintillation counting | B | 6.29 | pKi | 510 | nM | Ki | J Med Chem (2009) 52: 1773-1777 [PMID:19245211] |
ChEMBL | Displacement of [3H]dihydroalprenolol from beta2-adrenoceptor after 90 mins by liquid scintillation counting | B | 5.7 | pIC50 | 1995.26 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 1213-1218 [PMID:22178551] |
ChEMBL | Displacement of [3H]CGP1217 from human recombinant adrenergic beta2 receptor transfected in insect Sf9 cells by scintillation counting | B | 6.01 | pIC50 | 980 | nM | IC50 | J Med Chem (2009) 52: 1773-1777 [PMID:19245211] |
ChEMBL | DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177) | B | 6.09 | pIC50 | 810.2 | nM | IC50 | DrugMatrix in vitro pharmacology data |
ChEMBL | Agonist activity at human beta2 adrenoceptor expressed in CHO cells assessed as increase in intracellular cAMP level incubated for 1 hr by alphascreen technology | F | 6.6 | pEC50 | 251 | nM | EC50 | J Med Chem (2020) 63: 15218-15242 [PMID:33213146] |
ChEMBL | Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr | F | 6.7 | pEC50 | 199.53 | nM | EC50 | Bioorg Med Chem Lett (2011) 21: 4027-4031 [PMID:21652207] |
ChEMBL | Agonist activity at human beta2 adrenergic receptor assessed as increase in cAMP level by whole cell assay | F | 7.17 | pEC50 | 68 | nM | EC50 | J Med Chem (2010) 53: 3675-3684 [PMID:20402514] |
ChEMBL | Agonist activity at recombinant human beta2-adrenoceptor expressed in whole cells assessed as cAMP accumulation by homogeneous radioimmunoassay | F | 7.6 | pEC50 | 25.12 | nM | EC50 | Bioorg Med Chem Lett (2012) 22: 1213-1218 [PMID:22178551] |
Beta-2 adrenergic receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3373] [UniProtKB: Q28044] | ||||||||
ChEMBL | Apparent binding affinity constant to beta-2 adrenergic receptor determined using [3H]DHA | B | 6.24 | pKd | 0.57 | uM | KD app | J Med Chem (1986) 29: 549-554 [PMID:2870189] |
ChEMBL | Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA) | B | 6.28 | pKd | 520 | nM | Kd | J Med Chem (1985) 28: 1328-1334 [PMID:2993621] |
ChEMBL | Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA) | B | 6.58 | pKd | 6.58 | - | -Log KD | J Med Chem (1985) 28: 1328-1334 [PMID:2993621] |
Beta-2 adrenergic receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5414] [UniProtKB: Q8K4Z4] | ||||||||
ChEMBL | Binding affinity to adrenergic beta2 receptor in Hartley guinea pig tracheal ring | B | 5.94 | pKd | 1160 | nM | Kd | Eur J Med Chem (2009) 44: 2840-2846 [PMID:19168263] |
ChEMBL | Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring assessed as bronchorelaxation activity against histamine-induced contraction | B | 6.61 | pKd | 245.47 | nM | Kd | Bioorg Med Chem Lett (2015) 25: 820-825 [PMID:25592716] |
ChEMBL | Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring at basal tone assessed as bronchorelaxation activity | B | 6.96 | pKd | 109.65 | nM | Kd | Bioorg Med Chem Lett (2015) 25: 820-825 [PMID:25592716] |
ChEMBL | Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response after 30 mins | F | 7.77 | pIC50 | 17 | nM | IC50 | J Med Chem (2010) 53: 3675-3684 [PMID:20402514] |
ChEMBL | Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring assessed as bronchorelaxation activity against carbachol-induced contraction | F | 6.57 | pEC50 | 268 | nM | EC50 | Eur J Med Chem (2009) 44: 2840-2846 [PMID:19168263] |
ChEMBL | Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as relaxation of carbachol-induced tissue contraction | F | 8.04 | pEC50 | 9.1 | nM | EC50 | J Med Chem (2009) 52: 1773-1777 [PMID:19245211] |
ChEMBL | Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring assessed as bronchorelaxation activity against histamine-induced contraction | F | 9.34 | pEC50 | 0.45 | nM | EC50 | Eur J Med Chem (2009) 44: 2840-2846 [PMID:19168263] |
GroEL/GroES in Escherichia coli (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106139] [UniProtKB: Q548M1, Q7BGE6] | ||||||||
ChEMBL | Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured soluble pig heart MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 20 to 40 mins by malachite green dye based spectrometric analysis | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
HSP60/HSP10 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106131] [UniProtKB: P10809, P61604] | ||||||||
ChEMBL | Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Rosetta(DE3) assessed as reduction in HSP60/HSP10-mediated denatured MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 40 to 60 mins by malachite green dye based spectrometric analysis | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
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]