SB-674042 [Ligand Id: 9136] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL2110363 (SB-674042)
  • ADGRF1/Adhesion G-protein coupled receptor F1 in Human [ChEMBL: CHEMBL4523872] [GtoPdb: 190] [UniProtKB: Q5T601]
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  • β2-adrenoceptor/Beta-2 adrenergic receptor in Human [ChEMBL: CHEMBL210] [GtoPdb: 29] [UniProtKB: P07550]
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  • FFA4 receptor/G-protein coupled receptor 120 in Human [ChEMBL: CHEMBL5339] [GtoPdb: 127] [UniProtKB: Q5NUL3]
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  • κ receptor/Kappa opioid receptor in Human [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145]
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  • M2 receptor/Muscarinic acetylcholine receptor M2 in Human [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172]
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  • OX1 receptor/Orexin receptor 1 in Human [ChEMBL: CHEMBL5113] [GtoPdb: 321] [UniProtKB: O43613]
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  • OX2 receptor/Orexin receptor 2 in Human [ChEMBL: CHEMBL4792] [GtoPdb: 322] [UniProtKB: O43614]
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  • 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
ADGRF1/Adhesion G-protein coupled receptor F1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523872] [GtoPdb: 190] [UniProtKB: Q5T601]
ChEMBL GPCR PRESTO-Tango dose-response in antagonist mode with target: ADGRF1 F 5 pIC50 >10000 nM IC50 EUbOPEN Chemogenomics Library - GPCR Dose-Respose
β2-adrenoceptor/Beta-2 adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL210] [GtoPdb: 29] [UniProtKB: P07550]
ChEMBL GPCR PRESTO-Tango dose-response in antagonist mode with target: ADRB2 F 5 pIC50 >10000 nM IC50 EUbOPEN Chemogenomics Library - GPCR Dose-Respose
FFA4 receptor/G-protein coupled receptor 120 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5339] [GtoPdb: 127] [UniProtKB: Q5NUL3]
ChEMBL GPCR PRESTO-Tango dose-response in antagonist mode with target: FFAR4 F 5.49 pEC50 3234.58 nM EC50 EUbOPEN Chemogenomics Library - GPCR Dose-Respose
κ receptor/Kappa opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145]
ChEMBL PDSP Secondary Binding target: OPRK1 - Compounds are tested at 10 uM concentration, plate are incubated at room temperature in the dark for 90 minutes. Reaction are stopped by vacuum filtration onto 0.3% polyethyleneimine soaked filter mats using Filtermate harvester. Scintillation cocktail is then melted onto microwave-dried filters on a hot plate and the radio activity is counted in Microbia counter. Compounds showing a minimum of 50% inhibition at 10 uM concentration are carried forward in this secondary binding assay to determine equilibrium binding affinity. B 6.15 pKi 703.8 nM Ki EUbOPEN Chemogenomics Library - PDSP Secondary Binding
M2 receptor/Muscarinic acetylcholine receptor M2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172]
ChEMBL PDSP Secondary Binding target: CHRM2 - Compounds are tested at 10 uM concentration, plate are incubated at room temperature in the dark for 90 minutes. Reaction are stopped by vacuum filtration onto 0.3% polyethyleneimine soaked filter mats using Filtermate harvester. Scintillation cocktail is then melted onto microwave-dried filters on a hot plate and the radio activity is counted in Microbia counter. Compounds showing a minimum of 50% inhibition at 10 uM concentration are carried forward in this secondary binding assay to determine equilibrium binding affinity. B 5 pKi >10000 nM Ki EUbOPEN Chemogenomics Library - PDSP Secondary Binding
OX1 receptor/Orexin receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5113] [GtoPdb: 321] [UniProtKB: O43613]
ChEMBL Binding affinity to OX1 receptor B 8.29 pKd 5.13 nM Kd J Med Chem (2009) 52: 891-903 [PMID:19199652]
ChEMBL Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay B 8.41 pKi 3.89 nM Ki J Med Chem (2020) 63: 11045-11053 [PMID:32977721]
ChEMBL Binding affinity to orexin receptor 1 (unknown origin) B 8.96 pKi 1.1 nM Ki Bioorg Med Chem Lett (2013) 23: 4761-4769 [PMID:23891187]
GtoPdb - - 9.3 pKi 0.79 nM Ki Br J Pharmacol (2004) 141: 340-6 [PMID:14691055];
Mol Pharmacol (2009) 76: 618-31 [PMID:19542319]
OX2 receptor/Orexin receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4792] [GtoPdb: 322] [UniProtKB: O43614]
GtoPdb - - 6.48 pKi - - - Br J Pharmacol (2009) 156: 1326-41 [PMID:19751316]
ChEMBL Binding affinity to orexin receptor 2 (unknown origin) B 6.89 pKi 129 nM Ki Bioorg Med Chem Lett (2013) 23: 4761-4769 [PMID:23891187]
GtoPdb - - 6.89 pKi 129 nM Ki Br J Pharmacol (2004) 141: 340-6 [PMID:14691055]
5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595]
ChEMBL PDSP Secondary Binding target: HTR2B - Compounds are tested at 10 uM concentration, plate are incubated at room temperature in the dark for 90 minutes. Reaction are stopped by vacuum filtration onto 0.3% polyethyleneimine soaked filter mats using Filtermate harvester. Scintillation cocktail is then melted onto microwave-dried filters on a hot plate and the radio activity is counted in Microbia counter. Compounds showing a minimum of 50% inhibition at 10 uM concentration are carried forward in this secondary binding assay to determine equilibrium binding affinity. B 5.52 pKi 3047.19 nM Ki EUbOPEN Chemogenomics Library - PDSP Secondary Binding
Translocator protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5742] [GtoPdb: 2879] [UniProtKB: P30536]
ChEMBL PDSP Secondary Binding target: TSPO - Compounds are tested at 10 uM concentration, plate are incubated at room temperature in the dark for 90 minutes. Reaction are stopped by vacuum filtration onto 0.3% polyethyleneimine soaked filter mats using Filtermate harvester. Scintillation cocktail is then melted onto microwave-dried filters on a hot plate and the radio activity is counted in Microbia counter. Compounds showing a minimum of 50% inhibition at 10 uM concentration are carried forward in this secondary binding assay to determine equilibrium binding affinity. B 6.1 pKi 789.49 nM Ki EUbOPEN Chemogenomics Library - PDSP Secondary Binding

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]