indacaterol [Ligand Id: 7455] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1095777 (Indacaterol, Indacterol, Onbrez, QAB149, QAB-149, QABI49)
  • β1-adrenoceptor/Beta-1 adrenergic receptor in Human [ChEMBL: CHEMBL213] [GtoPdb: 28] [UniProtKB: P08588]
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  • β2-adrenoceptor/Beta-2 adrenergic receptor in Human [ChEMBL: CHEMBL210] [GtoPdb: 29] [UniProtKB: P07550]
  • Beta-2 adrenergic receptor in Guinea pig [ChEMBL: CHEMBL5414] [UniProtKB: Q8K4Z4]
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  • D2 receptor/Dopamine D2 receptor in Human [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416]
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  • D3 receptor/Dopamine D3 receptor in Human [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
β1-adrenoceptor/Beta-1 adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL213] [GtoPdb: 28] [UniProtKB: P08588]
GtoPdb - - 6.7 pKi 180 nM Ki Bioorg Med Chem Lett (2012) 22: 6280-5 [PMID:22932315]
ChEMBL Displacement of [3H]CGP12177 from human beta-1 adrenoceptor B 7.04 pKi 91.4 nM Ki Bioorg Med Chem Lett (2010) 20: 5302-5307 [PMID:20655218]
ChEMBL Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay B 7.04 pKi 91 nM Ki Bioorg Med Chem Lett (2014) 24: 4341-4347 [PMID:25065493]
ChEMBL Binding affinity to beta1 adrenoceptor B 6.5 pIC50 316.23 nM IC50 Bioorg Med Chem Lett (2012) 22: 689-695 [PMID:22079756]
β2-adrenoceptor/Beta-2 adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL210] [GtoPdb: 29] [UniProtKB: P07550]
ChEMBL Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay B 7.12 pKi 76 nM Ki J Med Chem (2010) 53: 3675-3684 [PMID:20402514]
ChEMBL Displacement of [3H]CGP12177 from human beta2 adrenoceptor B 7.69 pKi 20.6 nM Ki Bioorg Med Chem Lett (2010) 20: 5302-5307 [PMID:20655218]
ChEMBL Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay B 7.69 pKi 20.6 nM Ki Bioorg Med Chem Lett (2014) 24: 4341-4347 [PMID:25065493]
GtoPdb - - 7.8 pKi 15.9 nM Ki Bioorg Med Chem Lett (2012) 22: 6280-5 [PMID:22932315];
J Pharmacol Exp Ther (2006) 317: 762-70 [PMID:16434564]
ChEMBL Agonist activity at human beta2 adrenoceptor expressed in H292 cells assessed as increase in cAMP accumulation after 60 mins by spectrophotometry F 7.8 pEC50 15.85 nM EC50 Bioorg Med Chem Lett (2012) 22: 689-695 [PMID:22079756]
ChEMBL Agonist activity at human beta2 adrenergic receptor assessed as increase in cAMP level by whole cell assay F 7.96 pEC50 11 nM EC50 J Med Chem (2010) 53: 3675-3684 [PMID:20402514]
ChEMBL Agonist activity at adrenergic beta2 receptor in human A431 cells assessed as elevation of cAMP level F 8.82 pEC50 1.5 nM EC50 Bioorg Med Chem Lett (2014) 24: 4341-4347 [PMID:25065493]
ChEMBL Agonist activity at beta2 adrenoceptor (unknown origin) F 9.1 pEC50 0.79 nM EC50 J Med Chem (2020) 63: 15218-15242 [PMID:33213146]
Beta-2 adrenergic receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5414] [UniProtKB: Q8K4Z4]
ChEMBL Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response after 30 mins F 8.1 pIC50 7.9 nM IC50 J Med Chem (2010) 53: 3675-3684 [PMID:20402514]
ChEMBL Agonist activity at adrenergic beta2 receptor in electrically-stimulated Dunkin-Hartley guinea pig tracheal strip assessed as inhibition of contraction B 8.1 pIC50 7.9 nM IC50 Bioorg Med Chem Lett (2014) 24: 4341-4347 [PMID:25065493]
CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678]
ChEMBL Inhibition of human CYP1B1 using 7-ethyl-O-resorufin as substrate incubated for 30 mins in presence of NADPH by EROD assay B 4.23 pIC50 59200 nM IC50 Eur J Med Chem (2020) 193: 112235-112235 [PMID:32203789]
D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416]
ChEMBL Activity at human D2R expressed in CHO cells by radiolabelled [35S]GTPgammaS assay F 5 pEC50 >10000 nM EC50 Bioorg Med Chem Lett (2014) 24: 4341-4347 [PMID:25065493]
D3 receptor/Dopamine D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462]
ChEMBL Displacement of [125I]7-HO-PIPAT from human D3R expressed in HEK cells B 5.98 pKi 1048 nM Ki Bioorg Med Chem Lett (2014) 24: 4341-4347 [PMID:25065493]

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]