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] |
| 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) |
| 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] |
| elastase, neutrophil expressed/Leukocyte 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] |
| proteinase 3/Leukocyte proteinase 3 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] |
| 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) |
| 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/Thrombin 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 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]
