BOP [Ligand Id: 12045] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL288474
  • integrin, beta 1 subunit (fibronectin receptor, beta polypeptide, antigen CD29 includes MDF2, MSK12)/integrin, alpha 4 subunit (antigen CD49D, alpha 4 subunit of VLA-4 receptor)/Integrin alpha-4/beta-1 in Human [ChEMBL: CHEMBL1907599] [GtoPdb: 2455, 2443] [UniProtKB: P05556, P13612]
Created with Highcharts 10.3.3ValuesChart context menuIntegrin alpha-4/beta-1pKd HumanpKi HumanpIC50 HumanpEC50 Human024681012Highcharts.com
  • integrin, alpha 4 subunit (antigen CD49D, alpha 4 subunit of VLA-4 receptor)/integrin, beta 7 subunit/Integrin alpha-4/beta-7 in Human [ChEMBL: CHEMBL2095184] [GtoPdb: 2443, 2461] [UniProtKB: P13612, P26010]
Created with Highcharts 10.3.3ValuesChart context menuIntegrin alpha-4/beta-7pKd HumanpKi HumanpIC50 HumanpEC50 Human0246810Highcharts.com
  • integrin, alpha 9 subunit in Human [GtoPdb: 2448] [UniProtKB: Q13797]
Created with Highcharts 10.3.3ValuesChart context menuintegrin, alpha 9 subunitpKd HumanpKi HumanpIC50 HumanpEC50 Human02468101214Highcharts.com
  • integrin α4β1 in Human [GtoPdb: 2580]
Created with Highcharts 10.3.3ValuesChart context menuintegrin α4β1pKd HumanpKi HumanpIC50 HumanpEC50 Human024681012Highcharts.com
DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
integrin, beta 1 subunit (fibronectin receptor, beta polypeptide, antigen CD29 includes MDF2, MSK12)/integrin, alpha 4 subunit (antigen CD49D, alpha 4 subunit of VLA-4 receptor)/Integrin alpha-4/beta-1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907599] [GtoPdb: 2455, 2443] [UniProtKB: P05556, P13612]
ChEMBL Alpha4-beta1 integrin binding affinity was assessed by measuring the reduction in binding of [125I]VCAM-Ig to a suspension of Jurkat cells (a human T cell line alpha-4-beta-1-beta-7) B 9.85 pIC50 0.14 nM IC50 Bioorg Med Chem Lett (2002) 12: 159-163 [PMID:11755344]
integrin, alpha 4 subunit (antigen CD49D, alpha 4 subunit of VLA-4 receptor)/integrin, beta 7 subunit/Integrin alpha-4/beta-7 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2095184] [GtoPdb: 2443, 2461] [UniProtKB: P13612, P26010]
ChEMBL Alpha4-beta7 integrin binding affinity was determined in duplicate by a radioligand binding assay using [125I]-VCAM-Ig and a suspension of RPMI-8866 cells (a human B cell line alpha-4-beta-1-beta-7+) B 8.55 pIC50 2.83 nM IC50 Bioorg Med Chem Lett (2002) 12: 159-163 [PMID:11755344]
integrin, alpha 9 subunit in Human [GtoPdb: 2448] [UniProtKB: Q13797]
GtoPdb Binding affinity for α9β1 intergrin in vitro - 11.52 pKd 0 nM Kd Biochemistry (2002) 41: 7125-41 [PMID:12033947]
integrin α4β1 in Human [GtoPdb: 2580]
GtoPdb - - 11.3 pKd 0 nM Kd Biochemistry (2002) 41: 7125-41 [PMID:12033947]

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]