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ChEMBL ligand: CHEMBL561057 (NSC-722041, Sq-109, Sq109, SQ-109, SQ109) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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]