ziritaxestat [Ligand Id: 9561] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL3828074 (G-451990, G451990, Glpg1690, GLPG-1690, GLPG1690, Ziritaxestat, Ziritaxestatn) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| autotaxin/Autotaxin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3691] [GtoPdb: 2901] [UniProtKB: Q13822] | ||||||||
| GtoPdb | Inhibition of substrate (LPC) conversion to LPA. | - | 7.82 | pKi | 15 | nM | Ki | J Med Chem (2017) 60: 3580-3590 [PMID:28414242] |
| ChEMBL | Competitive inhibition of human ATX using LPC (16:0) as substrate after 30 mins by Michaelis-Menten plot analysis | B | 7.82 | pKi | 15 | nM | Ki | J Med Chem (2017) 60: 3580-3590 [PMID:28414242] |
| ChEMBL | Inhibition of ATX in human plasma assessed as reduction in LPA 18:2 production after 2 hrs by LC-MS/MS analysis | B | 6.62 | pIC50 | 242 | nM | IC50 | J Med Chem (2017) 60: 3580-3590 [PMID:28414242] |
| ChEMBL | Inhibition of recombinant human ATX using lysophosphatidylcholine as substrate by choline release assay | B | 6.88 | pIC50 | 131 | nM | IC50 | J Med Chem (2016) 59: 5604-5621 [PMID:26745766] |
| ChEMBL | Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric analysis | B | 6.88 | pIC50 | 131 | nM | IC50 | J Med Chem (2017) 60: 3580-3590 [PMID:28414242] |
| ChEMBL | Inhibition of human ATX by LPC choline release assay | B | 6.88 | pIC50 | 131 | nM | IC50 | J Med Chem (2020) 63: 7326-7346 [PMID:32479084] |
| ChEMBL | Inhibition of ATX (unknown origin) | B | 7 | pIC50 | 100 | nM | IC50 | J Med Chem (2017) 60: 1309-1324 [PMID:28112925] |
| ChEMBL | Inhibition of human ATX using lysophosphatidylcholine as substrate preincubated with enzyme followed by substrate addition measured after 30 mins by luminescence assay | B | 7 | pIC50 | >100 | nM | IC50 | J Med Chem (2016) 59: 5604-5621 [PMID:26745766] |
| ChEMBL | Inhibition of ATX in human plasma assessed as inhibition of LPA production after 2 hrs by LC-MS/MS analysis | B | 7 | pIC50 | 100 | nM | IC50 | J Med Chem (2016) 59: 5604-5621 [PMID:26745766] |
| ChEMBL | Inhibition of human C-terminal His6-tagged ATX beta expressed in Sf9 insect cells using FS-3 as substrate preincubated for 45 mins followed by substrate addition and measured at 1 min interval for 30 mins by fluorescence assay | B | 8.43 | pIC50 | 3.7 | nM | IC50 | Eur J Med Chem (2020) 201: 112456-112456 [PMID:32535330] |
| ChEMBL | Inhibition of glycosylated human ATX using FS-3 as substrate preincubated for 45 mins followed by substrate addition and measured every 1 min for 30 mins by fluorescence microplate reader assay | B | 8.51 | pIC50 | 3.1 | nM | IC50 | Bioorg Med Chem (2020) 28: 115795-115795 [PMID:33032188] |
| ChEMBL | Inhibition of human ATX using FS-3 as substrate preincubated for 45 mins followed by substrate addition and measured every 1 min for 30 mins by fluorescence microplate reader assay | B | 8.54 | pIC50 | 2.9 | nM | IC50 | Bioorg Med Chem (2021) 46: 116362-116362 [PMID:34428714] |
| ChEMBL | Inhibition of human ATX pre-incubated for 45 mins before fluorogenic substrate-3 addition and measured every minute for 30 mins by fluorescence based assay | B | 8.89 | pIC50 | 1.3 | nM | IC50 | J Med Chem (2020) 63: 7326-7346 [PMID:32479084] |
| ChEMBL | Inhibition of human ATX using FS3 as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence assay | B | 11 | pIC50 | 0.01 | nM | IC50 | J Med Chem (2016) 59: 5604-5621 [PMID:26745766] |
| autotaxin in Human [GtoPdb: 2901] [UniProtKB: Q13822] | ||||||||
| GtoPdb | Inhibition of substrate (LPC) conversion to LPA. | - | 7.82 | pKi | 15 | nM | Ki | J Med Chem (2017) 60: 3580-3590 [PMID:28414242] |
| autotaxin/Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3826871] [GtoPdb: 2901] [UniProtKB: Q9R1E6] | ||||||||
| ChEMBL | Inhibition of ATX in mouse plasma assessed as inhibition of LPA production after 2 hrs by LC-MS/MS analysis | B | 6.3 | pIC50 | >=500 | nM | IC50 | J Med Chem (2016) 59: 5604-5621 [PMID:26745766] |
| ChEMBL | Inhibition of ATX in mouse plasma assessed as reduction in LPA 18:2 production after 2 hrs by LC-MS/MS analysis | B | 6.38 | pIC50 | 418 | nM | IC50 | J Med Chem (2017) 60: 3580-3590 [PMID:28414242] |
| ChEMBL | Inhibition of recombinant mouse ATX using lysophosphatidylcholine as substrate by choline release assay | B | 6.65 | pIC50 | 224 | nM | IC50 | J Med Chem (2016) 59: 5604-5621 [PMID:26745766] |
| autotaxin/Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3826870] [GtoPdb: 2901] [UniProtKB: Q64610] | ||||||||
| ChEMBL | Inhibition of ATX in rat plasma assessed as reduction in LPA 18:2 production after 2 hrs by LC-MS/MS analysis | B | 6.27 | pIC50 | 542 | nM | IC50 | J Med Chem (2017) 60: 3580-3590 [PMID:28414242] |
| ChEMBL | Inhibition of ATX in rat plasma assessed as inhibition of LPA production after 2 hrs by LC-MS/MS analysis | B | 6.3 | pIC50 | >=500 | nM | IC50 | J Med Chem (2016) 59: 5604-5621 [PMID:26745766] |
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human ERG by manual patch clamp assay | B | 4.82 | pIC50 | 15000 | nM | IC50 | J Med Chem (2017) 60: 3580-3590 [PMID:28414242] |
| ChEMBL | Inhibition of human ERG by automated patch clamp assay | B | 4.82 | pIC50 | 15000 | nM | IC50 | J Med Chem (2017) 60: 3580-3590 [PMID:28414242] |
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]
