dabigatran [Ligand Id: 6380] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL48361 (BIBR-953, BIBR 953 ZW, BIBR-953-ZW, Dabigatran, Pradaxa, Pradaxa (dabigatran)) |
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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 X in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL244] [GtoPdb: 2359] [UniProtKB: P00742] | ||||||||
| ChEMBL | Inhibition of human coagulation factor Xa using Boc-Ile-Glu-Gly-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluorometric assay | B | 5.42 | pKi | 3800 | nM | Ki | J Med Chem (2020) 63: 13159-13186 [PMID:33089691] |
| ChEMBL | Inhibitory constant (Ki) was determined against human Coagulation factor Xa (fXa) | B | 5.42 | pKi | 3760 | nM | Ki | J Med Chem (2002) 45: 1757-1766 [PMID:11960487] |
| ChEMBL | Inhibition of factor-10a (unknown origin) | B | 6 | pKi | >1000 | nM | Ki | J Med Chem (2013) 56: 9441-9456 [PMID:24175584] |
| coagulation factor XII/Coagulation factor XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2821] [GtoPdb: 2361] [UniProtKB: P00748] | ||||||||
| ChEMBL | Inhibition of human coagulation factor XIIA using Boc-Gln-Gly-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluorometric assay | B | 4.48 | pIC50 | >33000 | nM | IC50 | J Med Chem (2020) 63: 13159-13186 [PMID:33089691] |
| Multidrug and toxin extrusion/Multidrug and toxin extrusion protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743126] [GtoPdb: 1216] [UniProtKB: Q96FL8] | ||||||||
| ChEMBL | Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay | B | 5.09 | pIC50 | 8100 | nM | IC50 | J Med Chem (2013) 56: 781-795 [PMID:23241029] |
| MATE2/Multidrug and toxin extrusion protein 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743127] [GtoPdb: 1217] [UniProtKB: Q86VL8] | ||||||||
| ChEMBL | Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay | B | 4.6 | pIC50 | 25300 | nM | IC50 | J Med Chem (2013) 56: 781-795 [PMID:23241029] |
| plasminogen/Plasminogen in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1801] [GtoPdb: 2394] [UniProtKB: P00747] | ||||||||
| ChEMBL | Inhibitory constant (Ki) was determined against human plasmin | B | 5.77 | pKi | 1695 | nM | Ki | J Med Chem (2002) 45: 1757-1766 [PMID:11960487] |
| Quinone reductase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3959] [UniProtKB: P16083] | ||||||||
| ChEMBL | Inhibition of human recombinant NQO2-mediated mitomycin C metabolism using NADH as cosubstrate incubated for 5 mins prior to NADH addition measured after 30 mins by spectrophotometric analysis | B | 4.22 | pKi | 60000 | nM | Ki | J Med Chem (2012) 55: 3934-3944 [PMID:22494098] |
| ChEMBL | Displacement of (S)-N4-(4-(3-(2-((4-carbamimidoylphenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanamido)butyl)-N1-(15-oxo-19-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-4,7,10-trioxa-14-azanonadecyl)-2-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzamido)succinamide from human recombinant NQO2 after 1 hr by densitometric analysis | B | 4.96 | pIC50 | 11000 | nM | IC50 | J Med Chem (2012) 55: 3934-3944 [PMID:22494098] |
| ChEMBL | Competitive inhibition of human recombinant NQO2-mediated mitomycin C metabolism using NADH as cosubstrate incubated for 5 mins prior to NADH addition measured after 30 mins by Michaelis-Menten plot analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2012) 55: 3934-3944 [PMID:22494098] |
| Serine protease hepsin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2079849] [UniProtKB: P05981] | ||||||||
| ChEMBL | Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay | B | 6.08 | pKi | 835 | nM | Ki | Bioorg Med Chem (2015) 23: 2328-2343 [PMID:25882520] |
| Organic cation transporter 2/Solute carrier family 22 member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743122] [GtoPdb: 1020] [UniProtKB: O15244] | ||||||||
| ChEMBL | Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay | B | 5.33 | pIC50 | 4700 | nM | IC50 | J Med Chem (2013) 56: 781-795 [PMID:23241029] |
| coagulation factor II, thrombin/Thrombin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL204] [GtoPdb: 2362] [UniProtKB: P00734] | ||||||||
| ChEMBL | Inhibition of thrombin (unknown origin) using S-2238 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophotometric analysis | B | 8.2 | pKi | 6.3 | nM | Ki | Eur J Med Chem (2013) 64: 302-313 [PMID:23644213] |
| ChEMBL | Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry | B | 8.2 | pKi | 6.3 | nM | Ki | Eur J Med Chem (2012) 50: 255-263 [PMID:22365562] |
| GtoPdb | Binding affinity to human thrombin. | - | 8.3 | pKi | 4.5 | nM | Ki |
J Med Chem (2002) 45: 1757-66 [PMID:11960487]; Thrombosis and Haemostasis (2007) 98: 155-162 |
| ChEMBL | Binding affinity to human thrombin | B | 8.35 | pKi | 4.5 | nM | Ki | Eur J Med Chem (2012) 57: 21-28 [PMID:23043765] |
| ChEMBL | Inhibitory constant (Ki) was determined against human thrombin | B | 8.35 | pKi | 4.5 | nM | Ki | J Med Chem (2002) 45: 1757-1766 [PMID:11960487] |
| ChEMBL | Inhibition of thrombin (unknown origin) | B | 8.35 | pKi | 4.5 | nM | Ki | J Med Chem (2013) 56: 9441-9456 [PMID:24175584] |
| ChEMBL | Inhibition of human thrombin using tosyl-glycyl-prolyl-arginine-4-nitranilide acetate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometer | B | 8.35 | pKi | 4.5 | nM | Ki | J Med Chem (2018) 61: 3799-3822 [PMID:29072911] |
| ChEMBL | Inhibition of human coagulation factor alpha-thrombin using Boc-Val-Pro-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluorometric assay | B | 8.35 | pKi | 4.5 | nM | Ki | J Med Chem (2020) 63: 13159-13186 [PMID:33089691] |
| ChEMBL | Inhibition of human thrombin-mediated platelet aggregation in cell-based assay | B | 8 | pIC50 | 10 | nM | IC50 | J Med Chem (2012) 55: 3934-3944 [PMID:22494098] |
| ChEMBL | Inhibition of human thrombin using tosyl-glycyl-prolyl-arginine-4-nitranilide acetate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric method | B | 8.03 | pIC50 | 9.3 | nM | IC50 | Eur J Med Chem (2018) 146: 299-317 [PMID:29407959] |
| ChEMBL | Inhibition of human thrombin by chromogenic assay | B | 8.03 | pIC50 | 9.3 | nM | IC50 | J Med Chem (2002) 45: 1757-1766 [PMID:11960487] |
| ChEMBL | Inhibition of human coagulation factor alpha-thrombin using Boc-Val-Pro-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluorometric assay | B | 8.19 | pIC50 | 6.4 | nM | IC50 | J Med Chem (2020) 63: 13159-13186 [PMID:33089691] |
| ChEMBL | Inhibition of human thrombin assessed as reduction in release of free nitroaniline using tosyl-glycyl-prolyl-arginine-4-nitranilide acetate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometer | B | 8.22 | pIC50 | 6 | nM | IC50 | Bioorg Med Chem (2017) 25: 458-470 [PMID:27884512] |
| ChEMBL | Inhibition of thrombin (unknown origin) | B | 8.58 | pIC50 | 2.63 | nM | IC50 | Bioorg Med Chem (2016) 24: 73-84 [PMID:26690913] |
| ChEMBL | Inhibition of thrombin in human blood using fluorogenic Ac-FVR-AMC as substrate by chromogenic assay | B | 8.58 | pIC50 | 2.61 | nM | IC50 | Eur J Med Chem (2022) 228: 114035-114035 [PMID:34902735] |
| ChEMBL | Inhibition of human thrombin using Ac-FVR-AMC as substrate incubated for 10 mins prior to substrate addition measured for 10 min by fluorescence assay | B | 8.58 | pIC50 | 2.61 | nM | IC50 | Eur J Med Chem (2015) 96: 122-138 [PMID:25874337] |
| ChEMBL | Inhibition of human thrombin using tosyl-glycyl-prolyl-arginine-4-nitranilide acetate as substrate preincubated for 10 mins by spectrophotometer analysis | B | 8.66 | pIC50 | 2.2 | nM | IC50 | Bioorg Med Chem (2015) 23: 7405-7416 [PMID:26537784] |
| ChEMBL | Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay | B | 8.91 | pIC50 | 1.23 | nM | IC50 | Bioorg Med Chem (2016) 24: 2739-2753 [PMID:27166573] |
| ChEMBL | Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay | B | 8.91 | pIC50 | 1.23 | nM | IC50 | Bioorg Med Chem (2016) 24: 2739-2753 [PMID:27166573] |
| ChEMBL | Inhibition of human thrombin pre-incubated for 10 mins before Ac-FVR-AMC substrate addition and measured after 10 mins by fluorescence based assay | B | 8.92 | pIC50 | 1.2 | nM | IC50 | Eur J Med Chem (2016) 120: 148-159 [PMID:27187866] |
| ChEMBL | Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured every 20s for 10 mins by fluorescence assay | B | 8.92 | pIC50 | 1.2 | nM | IC50 | Eur J Med Chem (2017) 126: 799-809 [PMID:27951488] |
| plasminogen activator, tissue type/Tissue-type plasminogen activator in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1873] [GtoPdb: 2392] [UniProtKB: P00750] | ||||||||
| ChEMBL | Inhibitory constant (Ki) was determined against human Tissue plasminogen activator (tissue plasminogen activator) | B | 4.34 | pKi | 45360 | nM | Ki | J Med Chem (2002) 45: 1757-1766 [PMID:11960487] |
| 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 | Inhibitory constant (Ki) was determined against human Activated protein C | B | 4.68 | pKi | 20930 | nM | Ki | J Med Chem (2002) 45: 1757-1766 [PMID:11960487] |
ChEMBL data shown on this page come from version 34:
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]
