ChEMBL ligand: CHEMBL1515 (Favistan, Mercaptizole, Methimazole, NSC-38608, Tapazole, Thiamazole)
CYP3A4/Cytochrome P450 3A4 in Human [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684] There should be some charts here, you may need to enable JavaScript!
Dopamine beta-hydroxylase in Bovine [ChEMBL: CHEMBL4702] [UniProtKB: P15101] There should be some charts here, you may need to enable JavaScript!
Lactoperoxidase in Human [ChEMBL: CHEMBL5898] [UniProtKB: P22079] Lactoperoxidase in Bovine [ChEMBL: CHEMBL2295561] [UniProtKB: P80025] There should be some charts here, you may need to enable JavaScript!
TAS2R38 in Human [GtoPdb: 682] [UniProtKB: P59533] There should be some charts here, you may need to enable JavaScript!

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)
Dopamine beta-hydroxylase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4702] [UniProtKB: P15101]
ChEMBL	Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 4.5	B	4.35	pKi	45000	nM	Ki	J Med Chem (1986) 29: 2465-2472 [PMID:3783606]
Lactoperoxidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5898] [UniProtKB: P22079]
ChEMBL	Inhibition of lactoperoxidase-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC	B	4.93	pIC50	11800	nM	IC50	J Med Chem (2008) 51: 7313-7317 [PMID:18954039]
Lactoperoxidase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2295561] [UniProtKB: P80025]
ChEMBL	Inhibition of Bos taurus (bovine) milk lactoperoxidase-catalyzed iodination of L-tyrosine substrate by reverse phase HPLC analysis	B	5.08	pIC50	8400	nM	IC50	Med Chem Res (2013) 22: 4810-4817
TAS2R38 in Human [GtoPdb: 682] [UniProtKB: P59533]
GtoPdb	-	-	4.01	pEC50	97700	nM	EC50	Chem Senses (2013) 38: 475-84 [PMID:23632915]

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]