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 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]