dabigatran etexilate [Ligand Id: 6379] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL539697 (BIBR 1048, BIBR-1048, BIBR 1048 BS RS1, BIBR-1048-BS-RS1, Dabigatran etexilate, Dabigatran etexilate methanesulfonate, Pradaxa) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| coagulation factor II, thrombin/Thrombin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL204] [GtoPdb: 2362] [UniProtKB: P00734] | ||||||||
| ChEMBL | Binding affinity to human thrombin | B | 8.35 | pKi | 4.5 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 2089-2092 [PMID:23466230] |
| ChEMBL | Inhibition of human thrombin preincubated for 10 mins using Ac-FVR-AMC as substrate by chromogenic assay | B | 8.58 | pIC50 | 2.63 | nM | IC50 | Bioorg Med Chem (2016) 24: 73-84 [PMID:26690913] |
| ChEMBL | Inhibition of human thrombin preincubated for 10 mins using Ac-FVR-AMC as substrate by chromogenic assay | B | 8.58 | pIC50 | 2.61 | nM | IC50 | Bioorg Med Chem (2016) 24: 73-84 [PMID:26690913] |
| Thrombin in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2040703] [UniProtKB: Q28731] | ||||||||
| ChEMBL | Inhibition of rabbit thrombin-induced platelet aggregation in rabbit platelet-rich plasma preincubated with rabbit liver microsomes for 4 hrs followed by addition to platelet | B | 6.26 | pIC50 | 554 | nM | IC50 | Bioorg Med Chem (2017) 25: 458-470 [PMID:27884512] |
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]
