bergapten [Ligand Id: 12431] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL24171 (5-methoxypsoralen, Bergaptan, Bergapten, Bergaptene, Geralen, Heraclin, Majudin, Methoxsalen related compound a, NSC-95437)
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  • Kv1.2/Voltage-gated potassium channel subunit Kv1.2 in Human [ChEMBL: CHEMBL2086] [GtoPdb: 539] [UniProtKB: P16389]
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  • TAS2R10 in Human [GtoPdb: 666] [UniProtKB: Q9NYW0]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
CYP1A1/Cytochrome P450 1A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2231] [GtoPdb: 1318] [UniProtKB: P04798]
ChEMBL Inhibition of human recombinant CYP1A1 expressed in HEK293 cells using 7-ethoxyresorufin substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control B 7.22 pKi 60 nM Ki Medchemcomm (2018) 9: 371-382 [PMID:30108931]
ChEMBL Inhibition of human recombinant CYP1A1 expressed in HEK293 cells using 7-ethoxyresorufin substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control B 7.1 pIC50 80 nM IC50 Medchemcomm (2018) 9: 371-382 [PMID:30108931]
Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397]
ChEMBL Inhibition of MAO-A (unknown origin) B 4.86 pIC50 13800 nM IC50 Bioorg Med Chem (2013) 21: 2434-2450 [PMID:23517722]
Kv1.2/Voltage-gated potassium channel subunit Kv1.2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2086] [GtoPdb: 539] [UniProtKB: P16389]
ChEMBL Blockade of peak K+ currents against Kv1.2 gene F 4.39 pKd 41000 nM Kd J Med Chem (1998) 41: 4542-4549 [PMID:9804693]
TAS2R10 in Human [GtoPdb: 666] [UniProtKB: Q9NYW0]
GtoPdb - - 5.55 pEC50 2800 nM EC50 Molecules (2015) 20: 18907-22 [PMID:26501253]

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]