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 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 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]
