indacaterol [Ligand Id: 7455] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1095777 (Indacaterol, Indacterol, Onbrez, QAB-149, QAB149, QABI49) |
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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 | - | - | - |
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] |
| GtoPdb | - | - | 8.1 | pEC50 | - | - | - | J Pharmacol Exp Ther (2006) 317: 762-70 [PMID:16434564] |
| 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 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]
