NE21650 [Ligand Id: 3167] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL414849 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| farnesyl diphosphate synthase/Farnesyl diphosphate synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1782] [GtoPdb: 644] [UniProtKB: P14324] | ||||||||
| ChEMBL | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 | B | 7.19 | pKi | 64.6 | nM | Ki | J Med Chem (2008) 51: 2187-2195 [PMID:18327899] |
| GtoPdb | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins | - | 7.19 | pKi | 64.6 | nM | Ki | J Med Chem (2008) 51: 2187-95 [PMID:18327899] |
| ChEMBL | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins | B | 8.47 | pKi | 3.4 | nM | Ki | J Med Chem (2008) 51: 2187-2195 [PMID:18327899] |
| GtoPdb | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins | - | 8.47 | pKi | 3.4 | nM | Ki | J Med Chem (2008) 51: 2187-95 [PMID:18327899] |
| GtoPdb | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins | - | 6.43 | pIC50 | 370.7 | nM | IC50 | J Med Chem (2008) 51: 2187-95 [PMID:18327899] |
| ChEMBL | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 | B | 6.43 | pIC50 | 370.7 | nM | IC50 | J Med Chem (2008) 51: 2187-2195 [PMID:18327899] |
| ChEMBL | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins | B | 7.67 | pIC50 | 21.6 | nM | IC50 | J Med Chem (2008) 51: 2187-2195 [PMID:18327899] |
| GtoPdb | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins | - | 7.67 | pIC50 | 21.6 | nM | IC50 | J Med Chem (2008) 51: 2187-95 [PMID:18327899] |
| Vacuolar-type proton translocating pyrophosphatase 1 in Trypanosoma brucei (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4386] [UniProtKB: Q8MTZ4] | ||||||||
| ChEMBL | Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli | B | 5.68 | pIC50 | 2100 | nM | IC50 | J Med Chem (2005) 48: 6128-6139 [PMID:16162013] |
| isopentenyl-diphosphate Δ-isomerase 1 in Human [GtoPdb: 646] [UniProtKB: Q13907] | ||||||||
| GtoPdb | in vitro inhibition assay | - | 4.2 | pIC50 | ~70000 | nM | IC50 | Biochem Biophys Res Commun (2002) 290: 869-73 [PMID:11785983] |
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]
