melagatran [Ligand Id: 6382] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL266349 (Melagatran) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| coagulation factor VII/Coagulation factor VII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3991] [GtoPdb: 2363] [UniProtKB: P08709] | ||||||||
| ChEMBL | Inhibition of human coagulation factor 7a using spectrozyme as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotometric analysis in presence of tissue factor | B | 5.48 | pIC50 | 3300 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 821-827 [PMID:24418773] |
| coagulation factor X/Coagulation factor X in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL244] [GtoPdb: 2359] [UniProtKB: P00742] | ||||||||
| ChEMBL | Inhibition of human factor 10a | B | 5.43 | pKi | 3680 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 4779-4784 [PMID:23899618] |
| ChEMBL | Inhibition of human coagulation factor 10a using S-2765 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotometric analysis | B | 4.68 | pIC50 | 21000 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 821-827 [PMID:24418773] |
| ChEMBL | Inhibition of F10a | B | 4.76 | pIC50 | 17300 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 2641-2647 [PMID:16517159] |
| coagulation factor XI/Coagulation factor XI in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2820] [GtoPdb: 2360] [UniProtKB: P03951] | ||||||||
| ChEMBL | Inhibition of human coagulation factor 11a using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotometric analysis | B | 4.7 | pIC50 | 20000 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 821-827 [PMID:24418773] |
| plasminogen/Plasminogen in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1801] [GtoPdb: 2394] [UniProtKB: P00747] | ||||||||
| ChEMBL | Inhibition of human plasmin | B | 5.74 | pKi | 1800 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 4779-4784 [PMID:23899618] |
| ChEMBL | Inhibition of plasmin (unknown origin) | B | 6.15 | pKi | 700 | nM | Ki | J Med Chem (2020) 63: 1445-1472 [PMID:31658420] |
| ChEMBL | Inhibition of plasmin | B | 5.51 | pIC50 | 3060 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 2641-2647 [PMID:16517159] |
| coagulation factor II, thrombin/Thrombin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL204] [GtoPdb: 2362] [UniProtKB: P00734] | ||||||||
| ChEMBL | Binding affinity to thrombin (unknown origin) by surface plasmon resonance analysis | B | 8.88 | pKd | 1.31 | nM | Kd | Bioorg Med Chem Lett (2013) 23: 4779-4784 [PMID:23899618] |
| ChEMBL | Inhibitory activity against thrombin. | B | 8.7 | pKi | 2 | nM | Ki | J Med Chem (2002) 45: 4419-4432 [PMID:12238922] |
| ChEMBL | Inhibition of thrombin (unknown origin) | B | 8.7 | pKi | 2 | nM | Ki | J Med Chem (2020) 63: 1445-1472 [PMID:31658420] |
| GtoPdb | - | - | 8.7 | pKi | 2 | nM | Ki | Thromb Haemost (1998) 79: 110-8 [PMID:9459334] |
| ChEMBL | Inhibition of human thrombin | B | 8.89 | pKi | 1.3 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 4779-4784 [PMID:23899618] |
| ChEMBL | Binding affinity against human thrombin | B | 8.92 | pKi | 1.2 | nM | Ki | Bioorg Med Chem Lett (2002) 12: 1017-1022 [PMID:11909707] |
| ChEMBL | In vitro for the inhibition of thrombin | B | 5.33 | pIC50 | 4700 | nM | IC50 | J Med Chem (2000) 43: 1705-1713 [PMID:10794688] |
| ChEMBL | Inhibition of thrombin (unknown origin) assessed as fibrin clot formation | B | 6.96 | pIC50 | 110 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 4779-4784 [PMID:23899618] |
| ChEMBL | Inhibition of plasma clot-bound thrombin (unknown origin) using S2238 as substrate | B | 7.07 | pIC50 | 85.2 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 4779-4784 [PMID:23899618] |
| ChEMBL | Inhibition of free thrombin (unknown origin) using S2238 as substrate | B | 7.13 | pIC50 | 74 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 4779-4784 [PMID:23899618] |
| ChEMBL | Inhibition of thrombin by chromogenic assay | B | 7.16 | pIC50 | 69.2 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 2648-2653 [PMID:16460939] |
| ChEMBL | In vitro inhibitory activity against thrombin | B | 7.16 | pIC50 | 69.2 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 2029-2033 [PMID:12781189] |
| ChEMBL | Inhibition of thrombin | B | 7.16 | pIC50 | 69.2 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 2641-2647 [PMID:16517159] |
| ChEMBL | In vitro inhibitory concentration of compound against human thrombin | B | 8.33 | pIC50 | 4.7 | nM | IC50 | J Med Chem (2003) 46: 1165-1179 [PMID:12646027] |
| ChEMBL | Inhibition of human thrombin using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotometric analysis | B | 8.4 | pIC50 | 4 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 821-827 [PMID:24418773] |
| plasminogen activator, tissue type/Tissue-type plasminogen activator in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1873] [GtoPdb: 2392] [UniProtKB: P00750] | ||||||||
| ChEMBL | Inhibition of human t-PA | B | 5.82 | pKi | 1510 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 4779-4784 [PMID:23899618] |
| ChEMBL | Inhibition of tissue-type plasminogen activator (unknown origin) | B | 6.05 | pKi | 900 | nM | Ki | J Med Chem (2020) 63: 1445-1472 [PMID:31658420] |
| Trypsin I in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3769] [UniProtKB: P00760] | ||||||||
| ChEMBL | In vitro inhibitory activity against trypsin | B | 7.95 | pIC50 | 11.2 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 2029-2033 [PMID:12781189] |
| plasminogen activator, urokinase/Urokinase-type plasminogen activator in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3286] [GtoPdb: 2393] [UniProtKB: P00749] | ||||||||
| ChEMBL | Inhibition of urokinase-type plasminogen activator (unknown origin) | B | 5.2 | pKi | 6300 | nM | Ki | J Med Chem (2020) 63: 1445-1472 [PMID:31658420] |
| 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 | Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotometric analysis | B | 5.89 | pIC50 | 1300 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 821-827 [PMID:24418773] |
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]
