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 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 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 (unknown origin) | B | 7 | pIC50 | 100 | nM | IC50 | J Med Chem (2017) 60: 1309-1324 [PMID:28112925] |
| ChEMBL | Negative allosteric modulation activity against human ATX using FS-3 as substrate preincubated for 45 mins followed by substrate addition and measured every 30 mins by multi-mode microplate reader | B | 8.41 | pIC50 | 3.9 | nM | IC50 | Eur J Med Chem (2022) 236: 114307-114307 [PMID:35436669] |
| 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 using FS-3 as substrate preincubated for 45 mins followed by substrate addition measured every 1 min for 30 mins by fluorescence based microplate reader analysis | B | 8.54 | pIC50 | 2.9 | nM | IC50 | Eur J Med Chem (2022) 227: 113951-113951 [PMID:34742015] |
| 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] |
| ChEMBL | Inhibition of rat ATX lysoPLD activity using LPC as substrate assessed as reduction in choline release measured after 60 mins by HVA fluorescence based analysis | B | 6.88 | pIC50 | 131 | nM | IC50 | J Med Chem (2022) 65: 6338-6351 [PMID:35440138] |
| 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 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]
