thalidomide [Ligand Id: 7327] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL468 (.alpha.-phthalimidoglutarimide, Celgene, Contergan, Distaval, K-17, Myrin, Neurosedyn, N-phthalylglutamic acid imide, NSC-527179, NSC-66847, Pantosediv, Pharmion, Softenon, Talidex, Thaled, Thalidomide, Thalidomide, Thalomid)
  • Cereblon isoform 4 in Magnetospirillum gryphiswaldense [ChEMBL: CHEMBL3763007] [UniProtKB: A4TVL0]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Cereblon isoform 4 in Magnetospirillum gryphiswaldense (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3763007] [UniProtKB: A4TVL0]
ChEMBL Inhibition of MANT-uracil binding to Magnetospirillum gryphiswaldense cereblon isoform 4 Y101F mutant by Cheng-Prusoff equation analysis B 5.02 pKi 9600 nM Ki J Med Chem (2016) 59: 770-774 [PMID:26730808]
ChEMBL Inhibition of MANT-uracil binding to wild type Magnetospirillum gryphiswaldense cereblon isoform 4 by Cheng-Prusoff equation analysis B 5.36 pKi 4400 nM Ki J Med Chem (2016) 59: 770-774 [PMID:26730808]
ChEMBL Inhibition of MANT-uracil binding to wild-type Magnetospirillum gryphiswaldense CRBN isoform 4 by FRET assay B 5.36 pKi 4400 nM Ki J Med Chem (2019) 62: 6615-6629 [PMID:31251063]
ChEMBL Inhibition of MANT-uracil binding to Magnetospirillum gryphiswaldense cereblon isoform 4 Y101F mutant by FRET assay B 4.97 pIC50 10700 nM IC50 J Med Chem (2016) 59: 770-774 [PMID:26730808]
ChEMBL Inhibition of MANT-uracil binding to wild type Magnetospirillum gryphiswaldense cereblon isoform 4 by FRET assay B 5.11 pIC50 7800 nM IC50 J Med Chem (2016) 59: 770-774 [PMID:26730808]
Cyclooxygenase-1 in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2949] [UniProtKB: P05979]
ChEMBL Inhibitory activity (RA1) against Prostaglandin G/H synthase 1 was calculated relative to aspirin B 6.43 pIC50 370 nM IC50 Bioorg Med Chem Lett (2002) 12: 1043-1046 [PMID:11909713]
Cyclooxygenase-2 in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4102] [UniProtKB: P79208]
ChEMBL Inhibitory activity (RA2) against Prostaglandin G/H synthase 2 was calculated relative to aspirin B 6.3 pIC50 500 nM IC50 Bioorg Med Chem Lett (2002) 12: 1043-1046 [PMID:11909713]
cereblon/Protein cereblon in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3763008] [GtoPdb: 3086] [UniProtKB: Q96SW2]
GtoPdb Determined in a BiaCore assay using immobilised thalidomide and recombinant cereblon protein. - 8.07 pKd 8.5 nM Kd Science (2010) 327: 1345-50 [PMID:20223979]
ChEMBL Inhibition of MANT-uracil binding to human CRBN (delta 1 to 315) by Cheng-Prusoff equation analysis B 4.64 pKi 22700 nM Ki J Med Chem (2016) 59: 770-774 [PMID:26730808]
ChEMBL Binding affinity to human CRBN-thalidomide binding domain expressed in Escherichia coli by measuring baseline corrected normalized fluorescence in presence of 0.5% DMSO by MST based assay B 5.07 pKi 8510 nM Ki ACS Med Chem Lett (2021) 12: 74-81 [PMID:33488967]
ChEMBL Inhibition of MANT-uracil binding to human CRBN (delta 1 to 315) by FRET assay B 4.52 pIC50 29900 nM IC50 J Med Chem (2016) 59: 770-774 [PMID:26730808]
ChEMBL Binding affinity to human CRBN-thalidomide binding domain expressed in Escherichia coli by measuring baseline corrected normalized fluorescence in presence of 0.5% DMSO by MST based assay B 4.64 pIC50 22900 nM IC50 ACS Med Chem Lett (2021) 12: 74-81 [PMID:33488967]

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]