Target Validation Information
TTD ID T94033
Target Name Coagulation factor IIa (F2)
Type of Target
Successful
Drug Potency against Target Argatroban Drug Info IC50 = 1100 nM [22]
Bivalirudin Drug Info IC50 = 14 nM
Lepirudin Drug Info IC50 = 23 nM [22]
Ximelagatran Drug Info IC50 = 0.376 nM/mL [20]
Ximelegatran Drug Info Ki = 140 nM [21]
(3,4-dichlorophenyl)(1H-pyrazol-1-yl)methanone Drug Info IC50 = 2800 nM [8]
(3-nitro-1H-pyrazol-1-yl)(p-tolyl)methanone Drug Info IC50 = 4300 nM [8]
(3-nitro-1H-pyrazol-1-yl)(phenyl)methanone Drug Info IC50 = 11000 nM [8]
(4-bromo-1H-pyrazol-1-yl)(p-tolyl)methanone Drug Info IC50 = 4700 nM [8]
(4-nitro-1H-pyrazol-1-yl)(o-tolyl)methanone Drug Info IC50 = 12100 nM [8]
(4-nitro-1H-pyrazol-1-yl)(phenyl)methanone Drug Info IC50 = 11900 nM [8]
1,2,3,4,6-penta-O-galloyl-beta-D-glucose Drug Info Ki = 3900 nM [17]
1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide Drug Info IC50 = 390 nM [8]
2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine Drug Info Ki = 13000 nM [1]
2-nas-phe(3-am)-4-(2-guanidinoethyl)piperidine Drug Info Ki = 110 nM [7]
4-(3,4-Diethoxy-benzylamino)-benzamidine Drug Info Ki = 4500 nM [4]
4-(4-Benzyloxy-3-methoxy-benzylamino)-benzamidine Drug Info Ki = 270 nM [4]
5-desgalloylstachyurin Drug Info Ki = 830 nM [17]
Bbs-Arg-(D-Pip)-Gly-(EQKLISEEDL)-Gly-Hir Drug Info Ki = 66 nM [5]
Bbs-Arg-(D-Pip)-Gly-(SPH(pY)EKVS)-Gly-Hir Drug Info Ki = 1.5 nM [5]
Bbs-Arg-(D-Pip)-Gly-(SPHYEKVS)-Gly-Hir Drug Info Ki = 1 nM [5]
Bbs-Arg-(D-Pip)-Gly-S-(GS)1-Gly-Hir Drug Info Ki = 36 nM [5]
Bbs-Arg-(D-Pip)-Gly-S-(GS)11-Gly-Hir Drug Info Ki = 4.6 nM [5]
Bbs-Arg-(D-Pip)-Gly-S-(GS)13-Gly-Hir Drug Info Ki = 6.7 nM [5]
Bbs-Arg-(D-Pip)-Gly-S-(GS)3-Gly-Hir Drug Info Ki = 0.5 nM [5]
Bbs-Arg-(D-Pip)-Gly-S-(GS)5-Gly-Hir Drug Info Ki = 0.6 nM [5]
Bbs-Arg-(D-Pip)-Gly-S-(GS)7-Gly-Hir Drug Info Ki = 1.3 nM [5]
Bbs-Arg-(D-Pip)-Gly-S-(GS)9-Gly-Hir Drug Info Ki = 2 nM [5]
BMS-344577 Drug Info Ki = 2300 nM [14]
BMS-740808 Drug Info Ki = 35 nM [11]
CASUARIIN Drug Info Ki = 980 nM [17]
CHLORODYSINOSIN A Drug Info IC50 = 5.8 nM [13]
COCHINCHINENENE B Drug Info IC50 = 17800 nM [9]
COCHINCHINENIN B Drug Info IC50 = 12300 nM [9]
Cyclotheonamide E Drug Info IC50 = 16.1 nM [2]
Cyclotheonamide E4 Drug Info IC50 = 7.4 nM [2]
Cyclotheonamide E5 Drug Info IC50 = 67.9 nM [2]
D-Pro-Phe-Arg chloromethyl ketone Drug Info IC50 = 2500 nM [12]
DYSINOSIN A Drug Info IC50 = 46 nM [13]
GR-133686 Drug Info IC50 = 4 nM [18]
INOGATRAN Drug Info IC50 = 1300 nM [19]
L-375378 Drug Info Ki = 0.8 nM [3]
Macrocyclic tripeptide motif Drug Info Ki = 4.1 nM
MELAGATRAN Drug Info IC50 = 69.2 nM [6]
OSCILLARIN Drug Info IC50 = 28 nM [13]
Pedunculagin Drug Info Ki = 42 nM [17]
RAZAXABAN Drug Info Ki = 540 nM [15]
RWJ-50353 Drug Info Ki = 0.2 nM [10]
RWJ-671818 Drug Info Ki = 1.3 nM [16]
Tellimagrandin II Drug Info Ki = 420 nM [17]
References
REF 1 Development of serine protease inhibitors displaying a multicentered short (<2.3 A) hydrogen bond binding mode: inhibitors of urokinase-type plasmi... J Med Chem. 2001 Aug 16;44(17):2753-71.
REF 2 Cyclotheonamide E4 and E5, new potent tryptase inhibitors from an Ircinia species of sponge. J Nat Prod. 2002 Mar;65(3):259-61.
REF 3 Small, low nanomolar, noncovalent thrombin inhibitors lacking a group to fill the 'distal binding pocket'. Bioorg Med Chem Lett. 2003 Jan 20;13(2):161-4.
REF 4 Design of selective phenylglycine amide tissue factor/factor VIIa inhibitors. Bioorg Med Chem Lett. 2005 Feb 1;15(3):817-22.
REF 5 Transforming bivalent ligands into retractable enzyme inhibitors through polypeptide-protein interactions. Bioorg Med Chem Lett. 2005 Dec 1;15(23):5120-3.
REF 6 Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety. Bioorg Med Chem Lett. 2006 May 15;16(10):2648-53.
REF 7 Secondary amides of sulfonylated 3-amidinophenylalanine. New potent and selective inhibitors of matriptase. J Med Chem. 2006 Jul 13;49(14):4116-26.
REF 8 N-benzoylpyrazoles are novel small-molecule inhibitors of human neutrophil elastase. J Med Chem. 2007 Oct 4;50(20):4928-38.
REF 9 Anti-Helicobacter pylori and thrombin inhibitory components from Chinese dragon's blood, Dracaena cochinchinensis. J Nat Prod. 2007 Oct;70(10):1570-7.
REF 10 Inhibitors of proteases and amide hydrolases that employ an alpha-ketoheterocycle as a key enabling functionality. Bioorg Med Chem. 2008 Feb 15;16(4):1562-95.
REF 11 Structure-activity relationship and pharmacokinetic profile of 5-ketopyrazole factor Xa inhibitors. Bioorg Med Chem Lett. 2008 Jan 15;18(2):749-54.
REF 12 Novel 3-carboxamide-coumarins as potent and selective FXIIa inhibitors. J Med Chem. 2008 Jun 12;51(11):3077-80.
REF 13 From natural products to achiral drug prototypes: potent thrombin inhibitors based on P2/P3 dihydropyrid-2-one core motifs. Bioorg Med Chem Lett. 2009 Sep 15;19(18):5429-32.
REF 14 Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577. Bioorg Med Chem Lett. 2009 Dec 15;19(24):6882-9.
REF 15 Phenyltriazolinones as potent factor Xa inhibitors. Bioorg Med Chem Lett. 2010 Feb 15;20(4):1373-7.
REF 16 Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RW... J Med Chem. 2010 Feb 25;53(4):1843-56.
REF 17 Effects of tannins from Geum japonicum on the catalytic activity of thrombin and factor Xa of blood coagulation cascade. J Nat Prod. 1998 Nov;61(11):1356-60.
REF 18 5,5-trans lactone-containing inhibitors of serine proteases: identification of a novel, acylating thrombin inhibitor. Bioorg Med Chem Lett. 1998 Nov 3;8(21):2955-60.
REF 19 Novel acylguanidine containing thrombin inhibitors with reduced basicity at the P1 moiety. Bioorg Med Chem Lett. 1998 Dec 15;8(24):3603-8.
REF 20 Effects 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 21 Rho kinase (ROCK) inhibitors and their application to inflammatory disorders. Curr Top Med Chem. 2009;9(8):704-23.
REF 22 Effects 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.

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