milvexian [Ligand Id: 11754] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL4112929 (Bms-986177, BMS 986177, BMS-986177, Jnj-70033093, JNJ-70033093, Milvexian) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| cathepsin G/Cathepsin G in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4071] [GtoPdb: 2348] [UniProtKB: P08311] | ||||||||
| ChEMBL | Binding affinity to human neutrophil cathepsin G assessed as inhibition constant using Succinyl-L-alanyl-L-alanyl-L-prolyl-Lphenylalanine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis | B | 4.7 | pKi | >20000 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
| chymase 1/Chymase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4068] [GtoPdb: 2340] [UniProtKB: P23946] | ||||||||
| ChEMBL | Binding affinity to human mast cell chymase assessed as inhibition constant using Succinyl-L-alanyl-L-alanyl-L-prolyl-L phenylalanine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis | B | 4.89 | pKi | >13000 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
| coagulation factor IX/Coagulation factor IX in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2016] [GtoPdb: 2364] [UniProtKB: P00740] | ||||||||
| ChEMBL | Binding affinity to human coagulation factor 9a assessed as inhibition constant using Methylsulfonyl-D-cyclohexylglycyl-glycylarginine 7-amino-4-methylcoumarin as substrate measured upto 120 mins by spectrofluorometric analysis | B | 4.57 | pKi | >27000 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
| coagulation factor VII/Coagulation factor VII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3991] [GtoPdb: 2363] [UniProtKB: P08709] | ||||||||
| ChEMBL | Binding affinity to recombinant human coagulation factor 7a assessed as inhibition constant using N-alpha-Benzyloxycarbonyl-D-arginyl-glycyl-Larginine p-Nitroaniline as substrate measured upto 120 mins by coupled enzyme assay | B | 5.92 | pKi | 1200 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
| coagulation factor X/Coagulation factor X in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL244] [GtoPdb: 2359] [UniProtKB: P00742] | ||||||||
| ChEMBL | Binding affinity to human coagulation factor 10a assessed as inhibition constant using N-Benzoyl-L-isoleucyl-L-glutamyl-glycyl-Larginine p-Nitroaniline and its gamma glutamyl methyl ester as substrate measured upto 120 mins by spectrophotometric analysis | B | 4.89 | pKi | >13000 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
| coagulation factor XI/Coagulation factor XI in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2820] [GtoPdb: 2360] [UniProtKB: P03951] | ||||||||
| ChEMBL | Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant measured upto 120 mins by spectrophotometric analysis | B | 9.96 | pKi | 0.11 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
| ChEMBL | Binding affinity to FXIa (unknown origin) assessed as inhibition constant | B | 9.96 | pKi | 0.11 | nM | Ki | J Med Chem (2023) 66: 5332-5363 [PMID:37037122] |
| GtoPdb | Assay using purified human F11a | - | 9.96 | pKi | 0.11 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
| ChEMBL | In Vitro Assay: Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 25-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX® or AnaSpec) at a concentration of 0.0002-0.001 M. | B | 10 | pKi | 0.1 | nM | Ki | US-9453018-B2. Pyrimidinones as factor XIa inhibitors (2016) |
| ChEMBL | In Vitro Factor XIa Assay: The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or thrombin, can be determined using a relevant purified serine protease, respectively, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Hydrolysis of the substrate resulted in the release of pNA (para nitroaniline), which was monitored spectrophotometrically by measuring the increase in absorbance at 405 nm, or the release of AMC (amino methylcoumarin), which was monitored spectrofluorometrically by measuring the increase in emission at 460 nm with excitation at 380 nm. A decrease in the rate of absorbance or fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. The results of this assay are expressed as the inhibitory constant, Ki. Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 25-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX® or AnaSpec) at a concentration of 0.0002-0.001 M. | B | 10 | pKi | 0.1 | nM | Ki | US-10336754-B2. Pyrimidinones as factor XIa inhibitors (2019) |
| ChEMBL | Factor XIa assay : Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 25-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX® or AnaSpec) at a concentration of 0.0002-0.001 M. | B | 10 | pKi | 0.1 | nM | Ki | US-11053247-B2. Pyrimidinones as factor XIA inhibitors (2021) |
| coagulation factor XII/Coagulation factor XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2821] [GtoPdb: 2361] [UniProtKB: P00748] | ||||||||
| ChEMBL | Binding affinity to human coagulation factor 12a assessed as inhibition constant using H-D-Cyclohexylalanyl-glycyl-arginyl p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis | B | 5.52 | pKi | >3000 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
| kallikrein 1/Kallikrein-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2319] [GtoPdb: 2865] [UniProtKB: P06870] | ||||||||
| ChEMBL | Binding affinity to human tissue kallikrein-1 assessed as inhibition constant using H-D-Valyl-L-leucyl-L-arginine 7-amino-4-trifluoromethylcoumarin as substrate measured upto 120 mins by spectrofluorometric analysis | B | 4.96 | pKi | >11000 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
| proteinase 3/Myeloblastin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3900] [GtoPdb: 2401] [UniProtKB: P24158] | ||||||||
| ChEMBL | Binding affinity to human neutrophil proteinase 3 assessed as inhibition constant using Methoxysuccinyl-L-alanyl-L-alanyl-L-prolylL-valine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis | B | 4.92 | pKi | >12000 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
| elastase, neutrophil expressed/Neutrophil elastase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL248] [GtoPdb: 2358] [UniProtKB: P08246] | ||||||||
| ChEMBL | Binding affinity to human neutrophil elastase assessed as inhibition constant using Methoxysuccinyl-L-alanyl-L-alanyl-L-prolylL-valine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis | B | 5.1 | pKi | >8000 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
| kallikrein B1/Plasma kallikrein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2000] [GtoPdb: 2379] [UniProtKB: P03952] | ||||||||
| ChEMBL | Binding affinity to human plasma kallikrein assessed as inhibition constant using H-D-Prolyl-L-phenylalanyl-L-arginine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis | B | 7.36 | pKi | 44 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
| GtoPdb | - | - | 7.36 | pKi | 44 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
| ChEMBL | In Vitro Assay: Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. Determinations were made using purified human plasma kallikrein (Enzyme Research Laboratories) at a final assay concentration of 200 pM and the synthetic substrate S-2302 (H-(D)-Pro-Phe-Arg-pNA; CHROMOGENIX®) at a concentration of 0.00008-0.0004 M. | B | 7.55 | pKi | 28 | nM | Ki | US-9453018-B2. Pyrimidinones as factor XIa inhibitors (2016) |
| ChEMBL | In Vitro Assay: Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. Determinations were made using purified human plasma kallikrein (Enzyme Research Laboratories) at a final assay concentration of 200 pM and the synthetic substrate S-2302 (H-(D)-Pro-Phe-Arg-pNA; CHROMOGENIX®) at a concentration of 0.00008-0.0004 M. | B | 7.55 | pKi | 28 | nM | Ki | US-9453018-B2. Pyrimidinones as factor XIa inhibitors (2016) |
| ChEMBL | Plasma Kallikrein assay: Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. Determinations were made using purified human plasma kallikrein (Enzyme Research Laboratories) at a final assay concentration of 200 pM and the synthetic substrate S-2302 (H-(D)-Pro-Phe-Arg-pNA; CHROMOGENIX) at a concentration of 0.00008-0.0004 M. | B | 7.55 | pKi | 28 | nM | Ki | US-11053247-B2. Pyrimidinones as factor XIA inhibitors (2021) |
| plasminogen/Plasminogen in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1801] [GtoPdb: 2394] [UniProtKB: P00747] | ||||||||
| ChEMBL | Binding affinity to human plasmin assessed as inhibition constant using H-D-Valyl-L-leucyl-L-lysine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis | B | 5.58 | pKi | 2650 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
| coagulation factor II, thrombin/Prothrombin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL204] [GtoPdb: 2362] [UniProtKB: P00734] | ||||||||
| ChEMBL | Binding affinity to human thrombin assessed as inhibition constant using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis | B | 5.92 | pKi | 1200 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
| plasminogen activator, tissue type/Tissue-type plasminogen activator in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1873] [GtoPdb: 2392] [UniProtKB: P00750] | ||||||||
| ChEMBL | Binding affinity to human tissue type plasminogen assessed as inhibition constant using Methanesulfonyl-D-Cyclohexylalanyl-glycylarginine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis | B | 5.64 | pKi | 2300 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
| plasminogen activator, urokinase/Urokinase-type plasminogen activator in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3286] [GtoPdb: 2393] [UniProtKB: P00749] | ||||||||
| ChEMBL | Binding affinity to human urokinase assessed as inhibition constant using L-Pyroglutamyl-glycyl-L-arginine p-Nitroaniline as substrate upto 120 mins by spectrophotometric analysis | B | 5.41 | pKi | 3900 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
| protein C, inactivator of coagulation factors Va and VIIIa/Vitamin K-dependent protein C in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4444] [GtoPdb: 2396] [UniProtKB: P04070] | ||||||||
| ChEMBL | Binding affinity to human activated protein C assessed as inhibition constant using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis | B | 4.68 | pKi | >21000 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
| chymotrypsin C in Human [GtoPdb: 2341] [UniProtKB: Q99895] | ||||||||
| GtoPdb | - | - | 7.46 | pKi | 35 | nM | Ki | J Med Chem (2022) 65: 1770-1785 [PMID:34494428] |
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]
