carbamazepine [Ligand Id: 5339] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL108 (Teril, Carbamazepine, Carnexiv, GEIGY 32883, Tegretol prolonged release, Tegretol Xr, Teril ret, NSC-169864, Sirtal ret, Timonil 400 ret, Epimaz, Tegretol-xr, G-32883, Carbatrol, Epimaz ret, Carbagen sr, Tegretol chewtab, Arbil mr, Equetro, Epitol, Tegretol, Timonil 200 ret)
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  • Nav1.4/Sodium channel protein type IV alpha subunit in Human [ChEMBL: CHEMBL2072] [GtoPdb: 581] [UniProtKB: P35499]
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  • Nav1.7/Sodium channel protein type IX alpha subunit in Human [ChEMBL: CHEMBL4296] [GtoPdb: 584] [UniProtKB: Q15858]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
CYP3A4/Cytochrome P450 3A4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684]
ChEMBL null: A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. CYP3A4A is thought to be one of the primary CYP isoforms responsible for retinoic acid metabolism in the skin. Three benchmark agents, liarozole, climbazole, and ketoconazole, were assessed for CYP3A4 inhibition to confirm that the inhibition activity (the IC50 for CYP3A4 inhibition) measured by the assay corresponds to the activity reported by the published literature. The results show that the substituted azole compounds having the specific structure set forth herein are CYP inhibitors, and thus function as RAMBAs. B 5 pIC50 >10000 nM IC50 US-9138393-B2. Cosmetic compositions containing substituted azole and methods for improving the appearance of aging skin (2015)
ChEMBL In vitro CYP3A4 Inhibition Assay: Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute to the elimination of ATRA by catalyzing its 4-hydroxylation in the mammalian liver and skin, including that of humans as well as swine. Applicant evaluated the potential RAMBA activity of several azoles using pig liver microsomes, a rich source of CYP activity, comprising many different CYP 450 isoforms. Therefore, this approach, while a reasonable way to assess CYP inhibitors with broad activities may or may not be the best way to discover RAMBAs with selectivity for the skin, which has a much more narrow complement of CYP expression. As understanding in this area has progressed, a more specific CYP inhibition assay can be used to provide better predictivity of activity in human skin. Nevertheless, this assay may still be used as a general predictor of overall CYP activity. B 5 pIC50 >10000 nM IC50 US-9144538-B2. Cosmetic compositions containing substituted azole and methods for alleviating the signs of photoaged skin (2015)
FZD8 in Human [GtoPdb: 236] [UniProtKB: Q9H461]
GtoPdb Binding affinity for FZD8 cysteine-rich domain (CRD) by SPR analysis. - 4.77 pKd 16800 nM Kd J Med Chem (2020) 63: 3252-3260 [PMID:32049522]
FZD8/Frizzled-8 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523332] [GtoPdb: 236] [UniProtKB: Q61091]
ChEMBL Binding affinity to immobilized mouse C-terminal Rhinovirus 3C cleavage site-fused 6xHis-tagged Frizzled-8 CRD (Q33 to G173 resideus) transfected with pDisplay_BirA-ER plasmid in HEK293T cells for biotinylation by surface plasmon resonance assay B 4.77 pKd 16800 nM Kd J Med Chem (2020) 63: 3252-3260 [PMID:32049522]
P2X4/P2X purinoceptor 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2104] [GtoPdb: 481] [UniProtKB: Q99571]
ChEMBL Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP addition by Fluo-4 AM dye-based fluorescence assay B 4 pIC50 >100000 nM IC50 Bioorg. Med. Chem. (2014) 22: 1077-1088 [PMID:24411477]
Prion protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4869] [UniProtKB: P04156]
ChEMBL Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells B 5 pEC50 >10000 nM EC50 J. Med. Chem. (2003) 46: 3563-3564 [PMID:12904059]
Nav1.4/Sodium channel protein type IV alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2072] [GtoPdb: 581] [UniProtKB: P35499]
ChEMBL Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells B 4.28 pKi 52000 nM Ki J. Med. Chem. (2004) 47: 1547-1552 [PMID:14998340]
Nav1.7/Sodium channel protein type IX alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4296] [GtoPdb: 584] [UniProtKB: Q15858]
ChEMBL Inhibition of Nav1.7 (unknown origin) by electrophysiological assay B 4.49 pKi 32700 nM Ki Bioorg. Med. Chem. Lett. (2014) 25: 43-47 [PMID:25466191]
ChEMBL Blockade of human Nav1.7 channel expressed in HEK293 cells by FRET assay B 4.66 pIC50 22000 nM IC50 Bioorg. Med. Chem. Lett. (2008) 18: 1696-1701 [PMID:18243692]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]