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

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ChEMBL ligand: CHEMBL561057 (NSC-722041, Sq-109, Sq109, SQ-109, SQ109)
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  • geranylgeranyl diphosphate synthase/Geranylgeranyl pyrophosphate synthetase in Human [ChEMBL: CHEMBL4769] [GtoPdb: 643] [UniProtKB: O95749]
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  • squalene synthase /Squalene synthetase in Human [ChEMBL: CHEMBL3338] [GtoPdb: 645] [UniProtKB: P37268]
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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 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]