SQ-109 [Ligand Id: 7997] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL561057 (Sq109, SQ109, SQ-109, NSC-722041)
  • Dehydrosqualene synthase in S.aureus [ChEMBL: CHEMBL5440] [UniProtKB: A9JQL9]
  • This target only has 1 pki data point
  • 6.44
1 CHEMBL561057_lig_chart_1 Dehydrosqualene synthase S.aureus
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  • geranylgeranyl diphosphate synthase/Geranylgeranyl pyrophosphate synthetase in Human [ChEMBL: CHEMBL4769] [GtoPdb: 643] [UniProtKB: O95749]
  • This target only has 0 pki data point
  • 0
2 CHEMBL561057_lig_chart_2 Geranylgeranyl pyrophosphate synthetase Human
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  • Plasmodium falciparum 3D7 [ChEMBL: CHEMBL2366922]
  • This target only has 0 pki data point
  • 0
3 CHEMBL561057_lig_chart_3 Plasmodium falciparum 3D7 Plasmodium falciparum 3D7
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  • squalene synthase /Squalene synthetase in Human [ChEMBL: CHEMBL3338] [GtoPdb: 645] [UniProtKB: P37268]
  • 6.13
4 CHEMBL561057_lig_chart_4 Squalene synthetase Human
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Dehydrosqualene synthase in S.aureus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5440] [UniProtKB: A9JQL9]
ChEMBL Inhibition of Staphylococcus aureus ATCC 27659 dehydrosqualene synthase expressed in Escherichia coli BL21(DE3) after 30 mins by spectrophotometric analysis B 6.44 pKi 360 nM Ki J. Med. Chem. (2012) 55: 4367-4372 [PMID:22486710]
ChEMBL Inhibition of Staphylococcus aureus CrtM B 4 pIC50 100000 nM IC50 J. Med. Chem. (2014) 57: 3126-3139 [PMID:24568559]
geranylgeranyl diphosphate synthase/Geranylgeranyl pyrophosphate synthetase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4769] [GtoPdb: 643] [UniProtKB: O95749]
ChEMBL Inhibition of human geranylgeranyl diphosphate synthase B 5.35 pIC50 4500 nM IC50 J. Med. Chem. (2014) 57: 3126-3139 [PMID:24568559]
Plasmodium falciparum 3D7 (target type: ORGANISM) [ChEMBL: CHEMBL2366922]
ChEMBL Antimicrobial activity against Plasmodium falciparum 3D7 by intraerythrocytic assay F 5.52 pIC50 3000 nM IC50 J. Med. Chem. (2014) 57: 3126-3139 [PMID:24568559]
squalene synthase /Squalene synthetase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3338] [GtoPdb: 645] [UniProtKB: P37268]
GtoPdb - - 6.13 pKi 740 nM Ki J Med Chem (2012) 55: 4367-72 [PMID:22486710]
ChEMBL Inhibition of human squalene synthase B 6.13 pKi 740 nM Ki J. Med. Chem. (2012) 55: 4367-4372 [PMID:22486710]
ChEMBL Inhibition of human SQS B 4 pIC50 100000 nM IC50 J. Med. Chem. (2014) 57: 3126-3139 [PMID:24568559]

ChEMBL data shown on this page come from version 28:

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]