TGF-beta RI kinase inhibitor [Ligand Id: 6050] activity data from GtoPdb and ChEMBL

Click here for a description of the charts and data table

Please tell us if you are using this feature and what you think!

ChEMBL ligand: CHEMBL261454 (HTS-466284, LY-364947)
  • CYP3A4/Cytochrome P450 3A4 in Human [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684]
  • This target only has 0 pki data point
1 CHEMBL261454_lig_chart_1 Cytochrome P450 3A4 Human
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]
  • This target only has 0 pki data point
2 CHEMBL261454_lig_chart_2 MAP kinase p38 alpha Human
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]
  • This target only has 0 pki data point
3 CHEMBL261454_lig_chart_3 Mixed lineage kinase 7 Human
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]
  • This target only has 0 pki data point
4 CHEMBL261454_lig_chart_4 TGF-beta receptor type I Human
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]
  • This target only has 0 pki data point
5 CHEMBL261454_lig_chart_5 TGF-beta receptor type II Human
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]
  • This target only has 0 pki data point
6 CHEMBL261454_lig_chart_6 Tyrosine-protein kinase ABL2 Human
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 27:

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]