apixaban [Ligand Id: 6390] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL231779 (Apixaban, Apixaban accord, BMS-562247, BMS-562247-01, Eliquis) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| coagulation factor X/coagulation factor V/BR serine/threonine kinase 2/Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL6066543] [GtoPdb: 2359, 2606, 1947] [UniProtKB: P00742, P12259, Q8IWQ3] | ||||||||
| ChEMBL | In Vitro Assay: Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor Xa is incubated in 10 mM HEPES buffer, pH 7.4, 2 mM CaCl2, the final concentration is 0.5 nM, and add 12.5 μL human platelets (1×107 mL−1) for 10 minutes at 37° C. The reaction is initiated by adding 25 μL prothrombin, the final concentration is 0.5 μM and 2 μL the assay buffer containing 2% (V/V) DMSO (uninhibited control) or various concentrations of the compounds to be tested diluted in the assay buffer containing 2% (V/V) DMSO. After 20 minutes, thrombin activity is measured by adding 48 μL substrate of S-2238 (Chromogenix) at the final concentration is 50 μM. | B | 8 | pKi | <10 | nM | Ki | US-9938272-B2. Hydrazine compound as blood coagulation factor Xa inhibitor (2018) |
| GtoPdb | - | - | 10.1 | pKi | 0.08 | nM | Ki | J Thromb Haemost (2008) 6: 820-9 [PMID:18315548] |
| coagulation factor X/Coagulation factor X in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL244] [GtoPdb: 2359] [UniProtKB: P00742] | ||||||||
| ChEMBL | In Vitro Assay: Factor Xa (human or rat): In the assay for measuring the inhibition of human or rat factor Xa activity, Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl) is used. The IC50 is measured by adding dropwise the assay buffer of 50 μL human Factor Xa (Enzyme Research Laboratories, Inc; the final concentration of 8.36 nM) or 50 μL rat Factor Xa (Enzyme Research Laboratories, Inc; the final concentration of 57.5 nM) to the appropriate wells of a Greiner 384 microtiter plate. 2 μL the assay buffer containing 2% (V/V) DMSO (uninhibited control) or various concentrations of the compounds to be tested is diluted in the assay buffer containing 2% (V/V) DMSO, and add the assay buffer of 48 μL substrate S-2222 (Chromogenix; chemical formula: Bz-Ile-Glu(γ-OR)-Gly-Arg-pNA.HCl R═H (50%) and R═CH3 (50%)), the final concentration is 0.172 mM. The assay is performed by pre-incubating the tested compounds with enzyme for 10 min, and then the assay is initiated by adding substrate S-2222 to obtain a final volume of 100 μL. | B | 8 | pKi | <10 | nM | Ki | US-9938272-B2. Hydrazine compound as blood coagulation factor Xa inhibitor (2018) |
| ChEMBL | Binding affinity to human F10a | B | 10.1 | pKi | 0.08 | nM | Ki | J Med Chem (2007) 50: 5339-5356 [PMID:17914785] |
| ChEMBL | Inhibition of human factor 10a | B | 10.1 | pKi | 0.08 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 2845-2849 [PMID:18424044] |
| ChEMBL | Inhibition of Factor 10a | B | 10.1 | pKi | 0.08 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 2179-2185 [PMID:19297154] |
| ChEMBL | Binding affinity to human coagulation factor 10a | B | 10.1 | pKi | 0.08 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 462-468 [PMID:19046881] |
| ChEMBL | Inhibition of human factor 10a | B | 10.1 | pKi | 0.08 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 4419-4427 [PMID:17588746] |
| ChEMBL | Inhibition of factor 10a | B | 10.1 | pKi | 0.08 | nM | Ki | J Med Chem (2010) 53: 6243-6274 [PMID:20503967] |
| ChEMBL | Inhibition of purified human factor Xa | B | 10.1 | pKi | 0.08 | nM | Ki | Bioorg Med Chem Lett (2014) 24: 3341-3345 [PMID:24951330] |
| ChEMBL | Inhibition of factor Xa (unknown origin) assessed as inhibition constant | B | 10.1 | pKi | 0.08 | nM | Ki | Bioorg Med Chem Lett (2023) 80: 129127-129127 [PMID:36634753] |
| ChEMBL | Inhibition of human factor 10a | B | 10.1 | pKi | 0.08 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 1373-1377 [PMID:20100660] |
| GtoPdb | - | - | 10.1 | pKi | 0.08 | nM | Ki | J Thromb Haemost (2008) 6: 820-9 [PMID:18315548] |
| ChEMBL | Inhibition of human coagulation factor 10a assessed as reduction in p-nitroaniline cleavage from pefachrome substrate preincubated for 10 mins followed by substrate addition measured after 20 mins | B | 6.64 | pIC50 | 230 | nM | IC50 | Bioorg Med Chem (2016) 24: 5646-5661 [PMID:27663548] |
| ChEMBL | Inhibition of human F10a assessed as decrease in p-nitroaniline cleavage from pefachrome F10a preincubated for 10 mins followed by substrate addition measured after 20 mins | B | 6.68 | pIC50 | 210 | nM | IC50 | Bioorg Med Chem (2017) 25: 2800-2810 [PMID:28389110] |
| ChEMBL | Inhibition of factor Xa (unknown origin) | B | 8.65 | pIC50 | 2.26 | nM | IC50 | Bioorg Med Chem Lett (2023) 80: 129127-129127 [PMID:36634753] |
| Coagulation factor X in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5062] [UniProtKB: O19045] | ||||||||
| ChEMBL | Binding affinity to rabbit F10a | B | 9.77 | pKi | 0.17 | nM | Ki | J Med Chem (2007) 50: 5339-5356 [PMID:17914785] |
| coagulation factor X/Coagulation factor X in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3755] [GtoPdb: 2359] [UniProtKB: Q63207] | ||||||||
| ChEMBL | In Vitro Assay: Factor Xa (human or rat): In the assay for measuring the inhibition of human or rat factor Xa activity, Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl) is used. The IC50 is measured by adding dropwise the assay buffer of 50 μL human Factor Xa (Enzyme Research Laboratories, Inc; the final concentration of 8.36 nM) or 50 μL rat Factor Xa (Enzyme Research Laboratories, Inc; the final concentration of 57.5 nM) to the appropriate wells of a Greiner 384 microtiter plate. 2 μL the assay buffer containing 2% (V/V) DMSO (uninhibited control) or various concentrations of the compounds to be tested is diluted in the assay buffer containing 2% (V/V) DMSO, and add the assay buffer of 48 μL substrate S-2222 (Chromogenix; chemical formula: Bz-Ile-Glu(γ-OR)-Gly-Arg-pNA.HCl R═H (50%) and R═CH3 (50%)), the final concentration is 0.172 mM. The assay is performed by pre-incubating the tested compounds with enzyme for 10 min, and then the assay is initiated by adding substrate S-2222 to obtain a final volume of 100 μL. | B | 7.52 | pKi | 30 | nM | Ki | US-9938272-B2. Hydrazine compound as blood coagulation factor Xa inhibitor (2018) |
| ChEMBL | Binding affinity to rat FXa assessed as inhibition constant | B | 8.89 | pKi | 1.3 | nM | Ki | Eur J Med Chem (2024) 275: 116593-116593 [PMID:38889609] |
| coagulation factor II, thrombin/Prothrombin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL204] [GtoPdb: 2362] [UniProtKB: P00734] | ||||||||
| ChEMBL | Inhibition of human thrombin | B | 5.51 | pKi | 3100 | nM | Ki | J Med Chem (2007) 50: 5339-5356 [PMID:17914785] |
| ChEMBL | Inhibition of human factor 2a | B | 5.51 | pKi | 3100 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 1373-1377 [PMID:20100660] |
| serine protease 1/Serine protease 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL209] [GtoPdb: 2397] [UniProtKB: P07477] | ||||||||
| ChEMBL | In Vitro Assay: Trypsin: In the assay for measuring the inhibition of human trypsin activity buffer (50 mM Tris, pH 8.2, and 20 mM CaCl2) is used. The IC50 is measured by selecting the appropriate wells of a Greiner 384 microtiter plate. 50 μL the assay buffer containing human trypsin (Sigma; T6424), of which the final concentration is 0.39 BAEE units/ml; 2 μL the assay buffer containing 2% (V/V) DMSO (uninhibited control) or various concentrations of the compounds to be tested diluted in the assay buffer containing 2% (V/V) DMSO; and the assay buffer containing substrate S-2222 (Chromogenix). The assay is performed by pre-incubating the tested compounds with enzyme for 10 minutes. Then the assay is initiated by adding 48 μL substrate to obtain a final volume of 100 μL. | B | 6 | pKi | >1000 | nM | Ki | US-9938272-B2. Hydrazine compound as blood coagulation factor Xa inhibitor (2018) |
ChEMBL data shown on this page come from version 36:
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]
