argatroban [Ligand Id: 6385] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1166 (Argatroban monohydrate, DK-7419, Argatroban, MCI-9038, MD-805, Gn1600, Argatroban in dextrose, GN-1600, Acova, Argatroban In Sodium Chloride, Argatroban hydrate)
  • coagulation factor X/Coagulation factor X in Human [ChEMBL: CHEMBL244] [GtoPdb: 2359] [UniProtKB: P00742]
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  • plasminogen activator, tissue type/Tissue-type plasminogen activator in Human [ChEMBL: CHEMBL1873] [GtoPdb: 2392] [UniProtKB: P00750]
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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 factor 10a B 4.28 pKi 53000 nM Ki Bioorg. Med. Chem. Lett. (2013) 23: 4779-4784 [PMID:23899618]
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 8.62 pKd 2.42 nM Kd Bioorg. Med. Chem. Lett. (2013) 23: 4779-4784 [PMID:23899618]
ChEMBL Inhibition of human plasma thrombin using chromogenix AB as substrate after 30 secs by UV-spectrophotometry B 7.4 pKi 40 nM Ki J Med Chem (2018) 61: 2166-2210 [PMID:28850227]
ChEMBL Inhibition against clot-associated thrombin. B 7.41 pKi 39 nM Ki J. Med. Chem. (2000) 43: 305-341 [PMID:10669559]
ChEMBL In vitro binding affinity by measuring the inhibition of human thrombin B 7.7 pKi 20 nM Ki J. Med. Chem. (1994) 37: 3889-3901 [PMID:7966150]
GtoPdb - - 7.7 pKi 19 nM Ki Thromb. Res. (1997) 88: 245-50 [PMID:9361377]
ChEMBL Inhibitory activity against thrombin. B 7.72 pKi 19 nM Ki J. Med. Chem. (2002) 45: 4419-4432 [PMID:12238922]
ChEMBL Inhibitory activity against human thrombin (using Chromozym TH as the substrate) B 7.72 pKi 19 nM Ki J. Med. Chem. (2000) 43: 1793-1806 [PMID:10794696]
ChEMBL Inhibition of human alpha-thrombin. B 8 pKi 10 nM Ki J. Med. Chem. (1996) 39: 3039-3043 [PMID:8759623]
ChEMBL Binding affinity determined against human alpha thrombin B 8 pKi 9.9 nM Ki J. Med. Chem. (2005) 48: 1984-2008 [PMID:15771442]
ChEMBL Inhibition of human thrombin B 8.35 pKi 4.5 nM Ki Bioorg. Med. Chem. Lett. (2013) 23: 4779-4784 [PMID:23899618]
ChEMBL In vitro inhibition constant (Ki) against human thrombin B 8.4 pKi 4 nM Ki J. Med. Chem. (2003) 46: 3612-3622 [PMID:12904065]
ChEMBL Inhibition of thrombin (unknown origin) assessed as fibrin clot formation B 5.8 pIC50 1580 nM IC50 Bioorg. Med. Chem. Lett. (2013) 23: 4779-4784 [PMID:23899618]
ChEMBL Inhibition of thrombin B 6.22 pIC50 600 nM IC50 Bioorg. Med. Chem. Lett. (1997) 7: 533-538
ChEMBL Inhibitory activity against thrombin B 6.26 pIC50 550 nM IC50 Bioorg. Med. Chem. Lett. (1999) 9: 1227-1232 [PMID:10340604]
ChEMBL Inhibitory activity against human thrombin B 6.48 pIC50 331 nM IC50 J. Med. Chem. (2005) 48: 7592-7603 [PMID:16302799]
ChEMBL Inhibition of plasma clot-bound thrombin (unknown origin) using S2238 as substrate B 7.03 pIC50 92.4 nM IC50 Bioorg. Med. Chem. Lett. (2013) 23: 4779-4784 [PMID:23899618]
ChEMBL Inhibitory activity against thrombin induced platelet aggregation B 7.28 pIC50 52 nM IC50 J. Med. Chem. (1996) 39: 3039-3043 [PMID:8759623]
ChEMBL In vitro ability to inhibit the activity of human alpha Thrombin B 7.41 pIC50 39 nM IC50 Bioorg. Med. Chem. Lett. (1997) 7: 2205-2210
ChEMBL In vitro inhibition of thrombin catalytic activity using s-2238 substrate at 10 uM was measured at rat after 3 min incubation with compound F 7.42 pIC50 38 nM IC50 Bioorg. Med. Chem. Lett. (2002) 12: 41-44 [PMID:11738569]
ChEMBL In vitro inhibitory activity against hydrolysis of human alpha thrombin B 7.42 pIC50 38 nM IC50 Bioorg. Med. Chem. Lett. (2002) 12: 45-49 [PMID:11738570]
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 7.93 pIC50 11.7 nM IC50 Bioorg Med Chem (2017) 25: 458-470 [PMID:27884512]
ChEMBL Inhibition of free thrombin (unknown origin) using S2238 as substrate B 7.97 pIC50 10.6 nM IC50 Bioorg. Med. Chem. Lett. (2013) 23: 4779-4784 [PMID:23899618]
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 8.02 pIC50 9.46 nM IC50 Eur. J. Med. Chem. (2015) 96: 122-138 [PMID:25874337]
ChEMBL Inhibition of human thrombin B 8.27 pIC50 5.4 nM IC50 J. Nat. Prod. (2007) 70: 1570-1577 [PMID:17883259]
ChEMBL Inhibition of human thrombin using tosyl-glycyl-prolyl-arginine-4-nitranilide acetate as substrate preincubated for 10 mins by spectrophotometer analysis B 8.41 pIC50 3.88 nM IC50 Bioorg. Med. Chem. (2015) 23: 7405-7416 [PMID:26537784]
Thrombin in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4471] [UniProtKB: P00735]
ChEMBL Inhibitory activity against bovine thrombin B 7.07 pKi 85 nM Ki J. Med. Chem. (1999) 42: 4584-4603 [PMID:10579821]
ChEMBL Inhibitory activity against bovine thrombin B 7.21 pKi 61 nM Ki J. Med. Chem. (1999) 42: 4584-4603 [PMID:10579821]
ChEMBL Inhibition of bovine plasma thrombin using chromogenix AB as substrate after 30 secs by UV-spectrophotometry B 7.7 pKi 20 nM Ki J Med Chem (2018) 61: 2166-2210 [PMID:28850227]
ChEMBL Inhibitory activity against thrombin. B 8.02 pKi 9.6 nM Ki J. Med. Chem. (1997) 40: 3091-3099 [PMID:9301673]
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 4.06 pKi 87800 nM Ki Bioorg. Med. Chem. Lett. (2013) 23: 4779-4784 [PMID:23899618]
Trypsin I in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3769] [UniProtKB: P00760]
ChEMBL Inhibition of bovine trypsin B 5.54 pKi 2900 nM Ki J. Med. Chem. (1996) 39: 3039-3043 [PMID:8759623]
ChEMBL In vitro ability to inhibit the activity of Trypsin B 5.3 pIC50 5000 nM IC50 Bioorg. Med. Chem. Lett. (1997) 7: 2205-2210

ChEMBL data shown on this page come from version 26:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]