Target Validation Information
Target ID T94033
Target Name Coagulation factor IIa
Target Type
Successful
Drug Potency against Target Ximelagatran Drug Info IC50 = 0.376 nM/mL [552332]
OSCILLARIN Drug Info IC50 = 28 nM [530312]
L-375378 Drug Info Ki = 0.8 nM [526487]
RWJ-671818 Drug Info Ki = 1.3 nM [530660]
CHLORODYSINOSIN A Drug Info IC50 = 5.8 nM [530312]
RAZAXABAN Drug Info Ki = 540 nM [530655]
Bivalirudin Drug Info IC50 = 14 nM
Cyclotheonamide E Drug Info IC50 = 16.1 nM [526298]
Cyclotheonamide E5 Drug Info IC50 = 67.9 nM [526298]
4-(3,4-Diethoxy-benzylamino)-benzamidine Drug Info Ki = 4500 nM [527397]
D-Pro-Phe-Arg chloromethyl ketone Drug Info IC50 = 2500 nM [529454]
Tellimagrandin II Drug Info Ki = 420 nM [534762]
CASUARIIN Drug Info Ki = 980 nM [534762]
1,2,3,4,6-penta-O-galloyl-beta-D-glucose Drug Info Ki = 3900 nM [534762]
Macrocyclic tripeptide motif Drug Info Ki = 4.1 nM
(4-nitro-1H-pyrazol-1-yl)(o-tolyl)methanone Drug Info IC50 = 12100 nM [529037]
2-nas-phe(3-am)-4-(2-guanidinoethyl)piperidine Drug Info Ki = 110 nM [528292]
BMS-740808 Drug Info Ki = 35 nM [529194]
Lepirudin Drug Info IC50 = 23 nM [553198]
RWJ-50353 Drug Info Ki = 0.2 nM [529193]
Cyclotheonamide E4 Drug Info IC50 = 7.4 nM [526298]
INOGATRAN Drug Info IC50 = 1300 nM [534831]
2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine Drug Info Ki = 13000 nM [526118]
(3-nitro-1H-pyrazol-1-yl)(phenyl)methanone Drug Info IC50 = 11000 nM [529037]
(3-nitro-1H-pyrazol-1-yl)(p-tolyl)methanone Drug Info IC50 = 4300 nM [529037]
(4-bromo-1H-pyrazol-1-yl)(p-tolyl)methanone Drug Info IC50 = 4700 nM [529037]
(3,4-dichlorophenyl)(1H-pyrazol-1-yl)methanone Drug Info IC50 = 2800 nM [529037]
DYSINOSIN A Drug Info IC50 = 46 nM [530312]
GR-133686 Drug Info IC50 = 4 nM [534803]
BMS-344577 Drug Info Ki = 2300 nM [530503]
5-desgalloylstachyurin Drug Info Ki = 830 nM [534762]
PEDUNCULAGIN Drug Info Ki = 42 nM [534762]
Bbs-Arg-(D-Pip)-Gly-(SPH(pY)EKVS)-Gly-Hir Drug Info Ki = 1.5 nM [527780]
Bbs-Arg-(D-Pip)-Gly-S-(GS)13-Gly-Hir Drug Info Ki = 6.7 nM [527780]
Bbs-Arg-(D-Pip)-Gly-S-(GS)11-Gly-Hir Drug Info Ki = 4.6 nM [527780]
Bbs-Arg-(D-Pip)-Gly-S-(GS)9-Gly-Hir Drug Info Ki = 2 nM [527780]
Bbs-Arg-(D-Pip)-Gly-S-(GS)3-Gly-Hir Drug Info Ki = 0.5 nM [527780]
Bbs-Arg-(D-Pip)-Gly-S-(GS)5-Gly-Hir Drug Info Ki = 0.6 nM [527780]
4-(4-Benzyloxy-3-methoxy-benzylamino)-benzamidine Drug Info Ki = 270 nM [527397]
Bbs-Arg-(D-Pip)-Gly-S-(GS)7-Gly-Hir Drug Info Ki = 1.3 nM [527780]
1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide Drug Info IC50 = 390 nM [529037]
(4-nitro-1H-pyrazol-1-yl)(phenyl)methanone Drug Info IC50 = 11900 nM [529037]
Argatroban Drug Info IC50 = 1100 nM [553198]
COCHINCHINENENE B Drug Info IC50 = 17800 nM [529057]
COCHINCHINENIN B Drug Info IC50 = 12300 nM [529057]
MELAGATRAN Drug Info IC50 = 69.2 nM [528017]
Bbs-Arg-(D-Pip)-Gly-(SPHYEKVS)-Gly-Hir Drug Info Ki = 1 nM [527780]
Bbs-Arg-(D-Pip)-Gly-S-(GS)1-Gly-Hir Drug Info Ki = 36 nM [527780]
Bbs-Arg-(D-Pip)-Gly-(EQKLISEEDL)-Gly-Hir Drug Info Ki = 66 nM [527780]
Ximelegatran Drug Info Ki = 140 nM [552973]
References
Ref 552332Effects of ximelagatran, an oral direct thrombin inhibitor, r-hirudin and enoxaparin on thrombin generation and platelet activation in healthy male subjects. J Am Coll Cardiol. 2003 Feb 19;41(4):557-64.
Ref 530312Bioorg Med Chem Lett. 2009 Sep 15;19(18):5429-32. Epub 2009 Jul 26.From natural products to achiral drug prototypes: potent thrombin inhibitors based on P2/P3 dihydropyrid-2-one core motifs.
Ref 526487Bioorg Med Chem Lett. 2003 Jan 20;13(2):161-4.Small, low nanomolar, noncovalent thrombin inhibitors lacking a group to fill the 'distal binding pocket'.
Ref 530660J Med Chem. 2010 Feb 25;53(4):1843-56.Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif.
Ref 530312Bioorg Med Chem Lett. 2009 Sep 15;19(18):5429-32. Epub 2009 Jul 26.From natural products to achiral drug prototypes: potent thrombin inhibitors based on P2/P3 dihydropyrid-2-one core motifs.
Ref 530655Bioorg Med Chem Lett. 2010 Feb 15;20(4):1373-7. Epub 2010 Jan 11.Phenyltriazolinones as potent factor Xa inhibitors.
Ref 526298J Nat Prod. 2002 Mar;65(3):259-61.Cyclotheonamide E4 and E5, new potent tryptase inhibitors from an Ircinia species of sponge.
Ref 526298J Nat Prod. 2002 Mar;65(3):259-61.Cyclotheonamide E4 and E5, new potent tryptase inhibitors from an Ircinia species of sponge.
Ref 527397Bioorg Med Chem Lett. 2005 Feb 1;15(3):817-22.Design of selective phenylglycine amide tissue factor/factor VIIa inhibitors.
Ref 529454J Med Chem. 2008 Jun 12;51(11):3077-80. Epub 2008 May 7.Novel 3-carboxamide-coumarins as potent and selective FXIIa inhibitors.
Ref 534762J Nat Prod. 1998 Nov;61(11):1356-60.Effects of tannins from Geum japonicum on the catalytic activity of thrombin and factor Xa of blood coagulation cascade.
Ref 534762J Nat Prod. 1998 Nov;61(11):1356-60.Effects of tannins from Geum japonicum on the catalytic activity of thrombin and factor Xa of blood coagulation cascade.
Ref 534762J Nat Prod. 1998 Nov;61(11):1356-60.Effects of tannins from Geum japonicum on the catalytic activity of thrombin and factor Xa of blood coagulation cascade.
Ref 529037J Med Chem. 2007 Oct 4;50(20):4928-38. Epub 2007 Sep 12.N-benzoylpyrazoles are novel small-molecule inhibitors of human neutrophil elastase.
Ref 528292J Med Chem. 2006 Jul 13;49(14):4116-26.Secondary amides of sulfonylated 3-amidinophenylalanine. New potent and selective inhibitors of matriptase.
Ref 529194Bioorg Med Chem Lett. 2008 Jan 15;18(2):749-54. Epub 2007 Nov 17.Structure-activity relationship and pharmacokinetic profile of 5-ketopyrazole factor Xa inhibitors.
Ref 553198Effects of the synthetic thrombin inhibitor argatroban on fibrin- or clot-incorporated thrombin: comparison with heparin and recombinant Hirudin. Thromb Haemost. 1994 Sep;72(3):381-6.
Ref 529193Bioorg Med Chem. 2008 Feb 15;16(4):1562-95. Epub 2007 Nov 6.Inhibitors of proteases and amide hydrolases that employ an alpha-ketoheterocycle as a key enabling functionality.
Ref 526298J Nat Prod. 2002 Mar;65(3):259-61.Cyclotheonamide E4 and E5, new potent tryptase inhibitors from an Ircinia species of sponge.
Ref 534831Bioorg Med Chem Lett. 1998 Dec 15;8(24):3603-8.Novel acylguanidine containing thrombin inhibitors with reduced basicity at the P1 moiety.
Ref 526118J Med Chem. 2001 Aug 16;44(17):2753-71.Development of serine protease inhibitors displaying a multicentered short (<2.3 A) hydrogen bond binding mode: inhibitors of urokinase-type plasminogen activator and factor Xa.
Ref 529037J Med Chem. 2007 Oct 4;50(20):4928-38. Epub 2007 Sep 12.N-benzoylpyrazoles are novel small-molecule inhibitors of human neutrophil elastase.
Ref 529037J Med Chem. 2007 Oct 4;50(20):4928-38. Epub 2007 Sep 12.N-benzoylpyrazoles are novel small-molecule inhibitors of human neutrophil elastase.
Ref 529037J Med Chem. 2007 Oct 4;50(20):4928-38. Epub 2007 Sep 12.N-benzoylpyrazoles are novel small-molecule inhibitors of human neutrophil elastase.
Ref 529037J Med Chem. 2007 Oct 4;50(20):4928-38. Epub 2007 Sep 12.N-benzoylpyrazoles are novel small-molecule inhibitors of human neutrophil elastase.
Ref 530312Bioorg Med Chem Lett. 2009 Sep 15;19(18):5429-32. Epub 2009 Jul 26.From natural products to achiral drug prototypes: potent thrombin inhibitors based on P2/P3 dihydropyrid-2-one core motifs.
Ref 534803Bioorg Med Chem Lett. 1998 Nov 3;8(21):2955-60.5,5-trans lactone-containing inhibitors of serine proteases: identification of a novel, acylating thrombin inhibitor.
Ref 530503Bioorg Med Chem Lett. 2009 Dec 15;19(24):6882-9. Epub 2009 Oct 23.Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577.
Ref 534762J Nat Prod. 1998 Nov;61(11):1356-60.Effects of tannins from Geum japonicum on the catalytic activity of thrombin and factor Xa of blood coagulation cascade.
Ref 534762J Nat Prod. 1998 Nov;61(11):1356-60.Effects of tannins from Geum japonicum on the catalytic activity of thrombin and factor Xa of blood coagulation cascade.
Ref 527780Bioorg Med Chem Lett. 2005 Dec 1;15(23):5120-3. Epub 2005 Oct 3.Transforming bivalent ligands into retractable enzyme inhibitors through polypeptide-protein interactions.
Ref 527780Bioorg Med Chem Lett. 2005 Dec 1;15(23):5120-3. Epub 2005 Oct 3.Transforming bivalent ligands into retractable enzyme inhibitors through polypeptide-protein interactions.
Ref 527780Bioorg Med Chem Lett. 2005 Dec 1;15(23):5120-3. Epub 2005 Oct 3.Transforming bivalent ligands into retractable enzyme inhibitors through polypeptide-protein interactions.
Ref 527780Bioorg Med Chem Lett. 2005 Dec 1;15(23):5120-3. Epub 2005 Oct 3.Transforming bivalent ligands into retractable enzyme inhibitors through polypeptide-protein interactions.
Ref 527780Bioorg Med Chem Lett. 2005 Dec 1;15(23):5120-3. Epub 2005 Oct 3.Transforming bivalent ligands into retractable enzyme inhibitors through polypeptide-protein interactions.
Ref 527780Bioorg Med Chem Lett. 2005 Dec 1;15(23):5120-3. Epub 2005 Oct 3.Transforming bivalent ligands into retractable enzyme inhibitors through polypeptide-protein interactions.
Ref 527397Bioorg Med Chem Lett. 2005 Feb 1;15(3):817-22.Design of selective phenylglycine amide tissue factor/factor VIIa inhibitors.
Ref 527780Bioorg Med Chem Lett. 2005 Dec 1;15(23):5120-3. Epub 2005 Oct 3.Transforming bivalent ligands into retractable enzyme inhibitors through polypeptide-protein interactions.
Ref 529037J Med Chem. 2007 Oct 4;50(20):4928-38. Epub 2007 Sep 12.N-benzoylpyrazoles are novel small-molecule inhibitors of human neutrophil elastase.
Ref 529037J Med Chem. 2007 Oct 4;50(20):4928-38. Epub 2007 Sep 12.N-benzoylpyrazoles are novel small-molecule inhibitors of human neutrophil elastase.
Ref 553198Effects of the synthetic thrombin inhibitor argatroban on fibrin- or clot-incorporated thrombin: comparison with heparin and recombinant Hirudin. Thromb Haemost. 1994 Sep;72(3):381-6.
Ref 529057J Nat Prod. 2007 Oct;70(10):1570-7. Epub 2007 Sep 21.Anti-Helicobacter pylori and thrombin inhibitory components from Chinese dragon's blood, Dracaena cochinchinensis.
Ref 529057J Nat Prod. 2007 Oct;70(10):1570-7. Epub 2007 Sep 21.Anti-Helicobacter pylori and thrombin inhibitory components from Chinese dragon's blood, Dracaena cochinchinensis.
Ref 528017Bioorg Med Chem Lett. 2006 May 15;16(10):2648-53. Epub 2006 Feb 3.Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety.
Ref 527780Bioorg Med Chem Lett. 2005 Dec 1;15(23):5120-3. Epub 2005 Oct 3.Transforming bivalent ligands into retractable enzyme inhibitors through polypeptide-protein interactions.
Ref 527780Bioorg Med Chem Lett. 2005 Dec 1;15(23):5120-3. Epub 2005 Oct 3.Transforming bivalent ligands into retractable enzyme inhibitors through polypeptide-protein interactions.
Ref 527780Bioorg Med Chem Lett. 2005 Dec 1;15(23):5120-3. Epub 2005 Oct 3.Transforming bivalent ligands into retractable enzyme inhibitors through polypeptide-protein interactions.
Ref 552973Rho kinase (ROCK) inhibitors and their application to inflammatory disorders. Curr Top Med Chem. 2009;9(8):704-23.

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