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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| 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 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]
