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ChEMBL ligand: CHEMBL261454 (HTS-466284, LY-364947) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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) |
mitogen-activated protein kinase 14/MAP kinase p38 alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL260] [GtoPdb: 1499] [UniProtKB: Q16539] | ||||||||
ChEMBL | Inhibitory activity against Mitogen-activated protein kinase p38 | B | 4.29 | pIC50 | 51000 | nM | IC50 | Bioorg. Med. Chem. Lett. (2004) 14: 3585-3588 [PMID:15177480] |
ChEMBL | In vitro inhibitory activity against Mitogen-activated protein kinase p38 | B | 6.13 | pIC50 | 740 | nM | IC50 | J. Med. Chem. (2003) 46: 3953-3956 [PMID:12954047] |
ZAK sterile alpha motif and leucine zipper containing kinase AZK/Mixed lineage kinase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3886] [GtoPdb: 2289] [UniProtKB: Q9NYL2] | ||||||||
ChEMBL | Inhibition of MLK7 | B | 5.85 | pIC50 | 1400 | nM | IC50 | J. Med. Chem. (2006) 49: 2138-2142 [PMID:16539403] |
transforming growth factor beta receptor 1/TGF-beta receptor type I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4439] [GtoPdb: 1788] [UniProtKB: P36897] | ||||||||
ChEMBL | Dissociation constant for TGF-beta receptor type I | B | 8.3 | pKd | 5 | nM | Kd | Bioorg. Med. Chem. Lett. (2003) 13: 4355-4359 [PMID:14643325] |
ChEMBL | Inhibition of Transforming growth factor beta-1 receptor (TbetaRI) autophosphorylation | B | 4.57 | pIC50 | 27000 | nM | IC50 | Bioorg. Med. Chem. Lett. (2003) 13: 4355-4359 [PMID:14643325] |
ChEMBL | In vitro inhibition of transforming growth factor- beta dependent luciferase growth in mouse fibroblasts (NIH 3T3) | F | 7.05 | pIC50 | 89 | nM | IC50 | J. Med. Chem. (2003) 46: 3953-3956 [PMID:12954047] |
ChEMBL | Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells | B | 7.23 | pIC50 | 59 | nM | IC50 | J. Med. Chem. (2006) 49: 2138-2142 [PMID:16539403] |
ChEMBL | Inhibition of TGFbeta type receptor 1 ALK5 (T204D) expressed in Sf9 cells | B | 7.23 | pIC50 | 59 | nM | IC50 | J. Med. Chem. (2008) 51: 2302-2306 [PMID:18314943] |
ChEMBL | Inhibition of TGFR1 | B | 7.29 | pIC50 | 51 | nM | IC50 | Eur. J. Med. Chem. (2009) 44: 4259-4265 [PMID:19640613] |
ChEMBL | Inhibition of human Transforming growth factor (TGF) beta-1 receptor (T204D mutation) autophosphorylation in Sf9 cells | B | 7.29 | pIC50 | 51 | nM | IC50 | J. Med. Chem. (2003) 46: 3953-3956 [PMID:12954047] |
ChEMBL | In vitro inhibition of transforming growth factor- beta dependent luciferase production in mink lung cells (p3TP Lux) | F | 7.33 | pIC50 | 47 | nM | IC50 | J. Med. Chem. (2003) 46: 3953-3956 [PMID:12954047] |
ChEMBL | Inhibition of TGFBR1 | B | 7.4 | pIC50 | 40 | nM | IC50 | J. Med. Chem. (2012) 55: 9946-9957 [PMID:23130626] |
ChEMBL | Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink Mv1Lu lung cells | F | 7.4 | pIC50 | 40 | nM | IC50 | J. Med. Chem. (2006) 49: 2138-2142 [PMID:16539403] |
ChEMBL | Inhibition of TGFBR1 | B | 7.57 | pIC50 | 27 | nM | IC50 | J. Med. Chem. (2008) 51: 7898-7914 [PMID:19035792] |
GtoPdb | - | - | 7.57 | pIC50 | 27 | nM | IC50 | J Med Chem (2008) 51: 7898-914 [PMID:19035792] |
transforming growth factor beta receptor 2/TGF-beta receptor type II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4267] [GtoPdb: 1795] [UniProtKB: P37173] | ||||||||
ChEMBL | Inhibition of recombinant human TGFbeta R2 expressed in Sf9 cells | B | 6.4 | pIC50 | 400 | nM | IC50 | J. Med. Chem. (2006) 49: 2138-2142 [PMID:16539403] |
ABL proto-oncogene 2, non-receptor tyrosine kinase/Tyrosine-protein kinase ABL2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4014] [GtoPdb: 1924] [UniProtKB: P42684] | ||||||||
ChEMBL | Binding affinity to human ARG | B | 5.73 | pKd | 1870 | nM | Kd | J. Med. Chem. (2008) 51: 7898-7914 [PMID:19035792] |
ChEMBL data shown on this page come from version 31:
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]