compound 1a [PMID: 18573659] [Ligand Id: 8872] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL495075
  • β2-adrenoceptor/Beta-2 adrenergic receptor in Human [ChEMBL: CHEMBL210] [GtoPdb: 29] [UniProtKB: P07550]
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  • D2 receptor/Dopamine D2 receptor in Human [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416]
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  • 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Human [ChEMBL: CHEMBL214] [GtoPdb: 1] [UniProtKB: P08908]
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  • 5-HT1D receptor/Serotonin 1d (5-HT1d) receptor in Human [ChEMBL: CHEMBL1983] [GtoPdb: 3] [UniProtKB: P28221]
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  • 5-ht1e receptor/Serotonin 1e (5-HT1e) receptor in Human [ChEMBL: CHEMBL2182] [GtoPdb: 4] [UniProtKB: P28566]
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  • 5-HT1F receptor/Serotonin 1f (5-HT1f) receptor in Human [ChEMBL: CHEMBL1805] [GtoPdb: 5] [UniProtKB: P30939]
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  • 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595]
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  • 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335]
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  • 5-HT6 receptor/Serotonin 6 (5-HT6) receptor in Human [ChEMBL: CHEMBL3371] [GtoPdb: 11] [UniProtKB: P50406]
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  • UT receptor/Urotensin II receptor in Human [ChEMBL: CHEMBL3764] [GtoPdb: 365] [UniProtKB: Q9UKP6]
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  • CYP3A4 in Human [GtoPdb: 1337] [UniProtKB: P08684]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
β2-adrenoceptor/Beta-2 adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL210] [GtoPdb: 29] [UniProtKB: P07550]
ChEMBL Binding affinity to beta 2 adrenergic receptor B 5 pKi >10000 nM Ki Bioorg Med Chem Lett (2008) 18: 3950-3954 [PMID:18573659]
D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416]
ChEMBL Binding affinity to dopamine D2 receptor B 7 pKi 100 nM Ki Bioorg Med Chem Lett (2008) 18: 3950-3954 [PMID:18573659]
5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL214] [GtoPdb: 1] [UniProtKB: P08908]
ChEMBL Binding affinity to 5HT1A receptor B 7.42 pKi 38 nM Ki Bioorg Med Chem Lett (2008) 18: 3950-3954 [PMID:18573659]
5-HT1D receptor/Serotonin 1d (5-HT1d) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1983] [GtoPdb: 3] [UniProtKB: P28221]
ChEMBL Binding affinity to 5HT1D receptor B 6.85 pKi 140 nM Ki Bioorg Med Chem Lett (2008) 18: 3950-3954 [PMID:18573659]
5-ht1e receptor/Serotonin 1e (5-HT1e) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2182] [GtoPdb: 4] [UniProtKB: P28566]
ChEMBL Binding affinity to 5HT1E receptor B 5 pKi >10000 nM Ki Bioorg Med Chem Lett (2008) 18: 3950-3954 [PMID:18573659]
5-HT1F receptor/Serotonin 1f (5-HT1f) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1805] [GtoPdb: 5] [UniProtKB: P30939]
ChEMBL Binding affinity to 5HT1F receptor B 5.14 pKi 7200 nM Ki Bioorg Med Chem Lett (2008) 18: 3950-3954 [PMID:18573659]
5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595]
ChEMBL Binding affinity at 5HT2B receptor B 6.85 pKi 140 nM Ki Bioorg Med Chem Lett (2008) 18: 3950-3954 [PMID:18573659]
5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335]
ChEMBL Binding affinity at 5HT2C receptor B 7.07 pKi 85 nM Ki Bioorg Med Chem Lett (2008) 18: 3950-3954 [PMID:18573659]
5-HT6 receptor/Serotonin 6 (5-HT6) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3371] [GtoPdb: 11] [UniProtKB: P50406]
ChEMBL Binding affinity to 5HT6 receptor B 5.39 pKi 4100 nM Ki Bioorg Med Chem Lett (2008) 18: 3950-3954 [PMID:18573659]
UT receptor/Urotensin II receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3764] [GtoPdb: 365] [UniProtKB: Q9UKP6]
ChEMBL Displacement of [I125]hU2 from human recombinant urotensin 2 receptor expressed in HEK293 cells B 8.4 pKi 4 nM Ki Bioorg Med Chem Lett (2008) 18: 3950-3954 [PMID:18573659]
GtoPdb Ligand binding. - 8.4 pKi 4 nM Ki Bioorg Med Chem Lett (2008) 18: 3950-4 [PMID:18573659]
ChEMBL Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobilization by FLIPR assay F 8.4 pIC50 4 nM IC50 Bioorg Med Chem Lett (2008) 18: 3950-3954 [PMID:18573659]
CYP3A4 in Human [GtoPdb: 1337] [UniProtKB: P08684]
GtoPdb - - 5.72 pIC50 1900 nM IC50 Bioorg Med Chem Lett (2008) 18: 3950-4 [PMID:18573659]

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]