ChEMBL ligand: CHEMBL261454 (HTS-466284, LY-364947)
CYP3A4/Cytochrome P450 3A4 in Human [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684] There should be some charts here, you may need to enable JavaScript!
mitogen-activated protein kinase 14/MAP kinase p38 alpha in Human [ChEMBL: CHEMBL260] [GtoPdb: 1499] [UniProtKB: Q16539] There should be some charts here, you may need to enable JavaScript!
ZAK sterile alpha motif and leucine zipper containing kinase AZK/Mixed lineage kinase 7 in Human [ChEMBL: CHEMBL3886] [GtoPdb: 2289] [UniProtKB: Q9NYL2] There should be some charts here, you may need to enable JavaScript!
transforming growth factor beta receptor 1/TGF-beta receptor type I in Human [ChEMBL: CHEMBL4439] [GtoPdb: 1788] [UniProtKB: P36897] There should be some charts here, you may need to enable JavaScript!
transforming growth factor beta receptor 2/TGF-beta receptor type II in Human [ChEMBL: CHEMBL4267] [GtoPdb: 1795] [UniProtKB: P37173] There should be some charts here, you may need to enable JavaScript!
ABL proto-oncogene 2, non-receptor tyrosine kinase/Tyrosine-protein kinase ABL2 in Human [ChEMBL: CHEMBL4014] [GtoPdb: 1924] [UniProtKB: P42684] 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)
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 35:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]