Target Validation Information
Target ID T34296
Target Name Collagenase 3
Target Type
Clinical Trial
Drug Potency against Target [2-(Biphenyl-4-sulfonyl)phenyl]acetic Acid Drug Info IC50 = 260 nM [530402]
MMI270 Drug Info IC50 = 4.3 nM [526039]
CIPEMASTAT Drug Info IC50 = 7 nM
Ethyl 2-cyano-2-(quinoxalin-2(1H)-ylidene)acetate Drug Info IC50 = 3400 nM [529388]
1-(4-Methoxy-benzenesulfonyl)-heptane-3-thiol Drug Info IC50 = 45 nM [525485]
3-(4-Methoxy-benzenesulfonyl)-propane-1-thiol Drug Info IC50 = 50 nM [525485]
2-(biphenyl-4-ylsulfonamido)pentanedioic acid Drug Info IC50 = 280 nM [529392]
3-(4-Methoxy-benzenesulfonyl)-cyclopentanethiol Drug Info IC50 = 500 nM [525535]
4-(4-Methoxy-benzenesulfonyl)-butane-2-thiol Drug Info IC50 = 32 nM [525485]
Ro-37-9790 Drug Info IC50 = 4.9 nM
Marimastat Drug Info IC50 = 2 nM [552497]
2-(2-(biphenyl-4-yl)ethylsulfonyl)acetic acid Drug Info IC50 = 11300 nM [530333]
5-(4'-cyanobiphenyl-4-yl)-3-hydroxypentanoic acid Drug Info IC50 = 2450 nM [530333]
N1,N3-bis(3-methoxybenzyl)isophthalamide Drug Info IC50 = 1350 nM [530571]
PKF-242-484 Drug Info Ki = 0.5 nM [528065]
3-(4-Phenoxy-benzenesulfonyl)-cyclohexanethiol Drug Info IC50 = 1 nM [525535]
4-amino-3-(4-(hexyloxy)phenyl)-4-oxobutanoic acid Drug Info IC50 = 1300 nM [529392]
IK-682 Drug Info Ki = 1417 nM [526446]
N4,N6-dibenzylpyrimidine-4,6-dicarboxamide Drug Info IC50 = 400 nM [529830]
TMI-05 Drug Info IC50 = 8 nM [527982]
4-(2,2'-bithiophen-5-ylmethyleneamino)phenol Drug Info IC50 = 1700 nM [529388]
Curcumin Drug Info IC50 = 10300 nM [529388]
ILOMASTAT Drug Info IC50 = 5.2 nM [528945]
3-Benzenesulfonyl-heptanoic acid hydroxyamide Drug Info IC50 = 18 nM [525813]
3-(4-Methoxy-benzenesulfonyl)-hexane-1-thiol Drug Info IC50 = 6 nM [525485]
SR-973 Drug Info Ki = 10 nM [528025]
2-(Biphenyl-4-ylsulfonyl)N-hydroxybenzamide Drug Info IC50 = 1400 nM [530402]
N-Hydroxy-2-(4-phenoxy-benzenesulfonyl)benzamide Drug Info IC50 = 2700 nM [530402]
3-(4-Methoxy-benzenesulfonyl)-pentane-1-thiol Drug Info IC50 = 4 nM [525485]
3-(4-Phenoxy-benzenesulfonyl)-propane-1-thiol Drug Info IC50 = 0.5 nM [525485]
3-Cyclohexanesulfonyl-heptanoic acid hydroxyamide Drug Info IC50 = 100 nM [525813]
3-(4-Methoxy-benzenesulfonyl)-cyclohexanethiol Drug Info IC50 = 22 nM [525535]
RS-130830 Drug Info Ki = 0.52 nM [527412]
4-(methyl(4-phenylthiazol-2-yl)amino)phenol Drug Info IC50 = 13300 nM [529388]
CIPEMASTAT Drug Info Ki = 1 nM [528065]
UK-356618 Drug Info IC50 = 73 nM [526680]
(+/-)5-(biphenyl-4-yl)-3-hydroxypentanoic acid Drug Info IC50 = 12000 nM [530333]
PG-530742 Drug Info Complete Inhibition = 150 ng/mL [536172]
2-(4-methoxybenzylthio)-6-methylpyrimidin-4-ol Drug Info IC50 = 1600 nM [529392]
Action against Disease Model PG-530742 MMP13 inhibitors have often been tested in explanted bovine nasal cartilage cultures, where the degradation of the cartilage explant is induced by adding the strong stimulus of a combination of interleukin-1a plus Oncostatin M, which induces both MMP1 and MMP13. MMP13 inhibitor could block cartilage degradation in this culture system, but its potency was fairly weak relativeto its in vitro enzyme inhibition potency. MMP13 inhibitors showed significant protection of cartilage as evaluated by examination of the gross structure of the cartilage surface. [553026] Drug Info
The Effect of Target Knockout, Knockdown or Genetic Variations Suppressed liver fibrosis induced by cholestasis; Spontaneous abnormal growth plate, increased trabecular bone [530402]
References
Ref 530402J Med Chem. 2009 Oct 22;52(20):6347-61.Design, synthesis, biological evaluation, and NMR studies of a new series of arylsulfones as selective and potent matrix metalloproteinase-12 inhibitors.
Ref 526039Bioorg Med Chem Lett. 2001 Apr 23;11(8):1009-13.Heterocycle-based MMP inhibitors with P2' substituents.
Ref 529388Bioorg Med Chem. 2009 Feb 1;17(3):990-1005. Epub 2008 Mar 6.High throughput screening of potentially selective MMP-13 exosite inhibitors utilizing a triple-helical FRET substrate.
Ref 525485Bioorg Med Chem Lett. 1999 Apr 5;9(7):943-8.Discovery of a novel series of selective MMP inhibitors: identification of the gamma-sulfone-thiols.
Ref 525485Bioorg Med Chem Lett. 1999 Apr 5;9(7):943-8.Discovery of a novel series of selective MMP inhibitors: identification of the gamma-sulfone-thiols.
Ref 529392Bioorg Med Chem. 2009 Feb 1;17(3):1101-8. Epub 2008 Mar 8.Ranking the selectivity of PubChem screening hits by activity-based protein profiling: MMP13 as a case study.
Ref 525535Bioorg Med Chem Lett. 1999 Jul 5;9(13):1757-60.Synthesis and identification of conformationally constrained selective MMP inhibitors.
Ref 525485Bioorg Med Chem Lett. 1999 Apr 5;9(7):943-8.Discovery of a novel series of selective MMP inhibitors: identification of the gamma-sulfone-thiols.
Ref 552497Recent developments in the design of specific Matrix Metalloproteinase inhibitors aided by structural and computational studies. Curr Pharm Des. 2005;11(3):295-322.
Ref 530333Bioorg Med Chem Lett. 2009 Oct 1;19(19):5760-3. Epub 2009 Aug 6.The identification of beta-hydroxy carboxylic acids as selective MMP-12 inhibitors.
Ref 530333Bioorg Med Chem Lett. 2009 Oct 1;19(19):5760-3. Epub 2009 Aug 6.The identification of beta-hydroxy carboxylic acids as selective MMP-12 inhibitors.
Ref 530571Bioorg Med Chem Lett. 2010 Jan 15;20(2):576-80. Epub 2009 Nov 22.Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis.
Ref 528065Bioorg Med Chem Lett. 2006 May 15;16(10):2632-6. Epub 2006 Mar 3.A cassette-dosing approach for improvement of oral bioavailability of dual TACE/MMP inhibitors.
Ref 525535Bioorg Med Chem Lett. 1999 Jul 5;9(13):1757-60.Synthesis and identification of conformationally constrained selective MMP inhibitors.
Ref 529392Bioorg Med Chem. 2009 Feb 1;17(3):1101-8. Epub 2008 Mar 8.Ranking the selectivity of PubChem screening hits by activity-based protein profiling: MMP13 as a case study.
Ref 526446J Med Chem. 2002 Nov 7;45(23):4954-7.Discovery of gamma-lactam hydroxamic acids as selective inhibitors of tumor necrosis factor alpha converting enzyme: design, synthesis, and structure-activity relationships.
Ref 529830Bioorg Med Chem Lett. 2009 Jan 1;19(1):47-50. Epub 2008 Nov 18.Calculation of binding free energies for non-zinc chelating pyrimidine dicarboxamide inhibitors with MMP-13.
Ref 527982Bioorg Med Chem Lett. 2006 Mar 15;16(6):1605-9. Epub 2006 Jan 19.Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates.
Ref 529388Bioorg Med Chem. 2009 Feb 1;17(3):990-1005. Epub 2008 Mar 6.High throughput screening of potentially selective MMP-13 exosite inhibitors utilizing a triple-helical FRET substrate.
Ref 529388Bioorg Med Chem. 2009 Feb 1;17(3):990-1005. Epub 2008 Mar 6.High throughput screening of potentially selective MMP-13 exosite inhibitors utilizing a triple-helical FRET substrate.
Ref 528945J Biol Chem. 2007 Sep 21;282(38):27781-91. Epub 2007 Jul 10.Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia side effects.
Ref 525813J Med Chem. 2000 Jun 15;43(12):2324-31.Hydroxamic acid derivatives as potent peptide deformylase inhibitors and antibacterial agents.
Ref 525485Bioorg Med Chem Lett. 1999 Apr 5;9(7):943-8.Discovery of a novel series of selective MMP inhibitors: identification of the gamma-sulfone-thiols.
Ref 528025Bioorg Med Chem Lett. 2006 May 1;16(9):2357-63. Epub 2006 Feb 10.Synthesis and evaluation of succinoyl-caprolactam gamma-secretase inhibitors.
Ref 530402J Med Chem. 2009 Oct 22;52(20):6347-61.Design, synthesis, biological evaluation, and NMR studies of a new series of arylsulfones as selective and potent matrix metalloproteinase-12 inhibitors.
Ref 530402J Med Chem. 2009 Oct 22;52(20):6347-61.Design, synthesis, biological evaluation, and NMR studies of a new series of arylsulfones as selective and potent matrix metalloproteinase-12 inhibitors.
Ref 553026Selective MMP13 inhibitors. Med Res Rev. 2011 Nov;31(6):863-94. doi: 10.1002/med.20204. Epub 2010 Mar 1.
Ref 525485Bioorg Med Chem Lett. 1999 Apr 5;9(7):943-8.Discovery of a novel series of selective MMP inhibitors: identification of the gamma-sulfone-thiols.
Ref 525485Bioorg Med Chem Lett. 1999 Apr 5;9(7):943-8.Discovery of a novel series of selective MMP inhibitors: identification of the gamma-sulfone-thiols.
Ref 525813J Med Chem. 2000 Jun 15;43(12):2324-31.Hydroxamic acid derivatives as potent peptide deformylase inhibitors and antibacterial agents.
Ref 525535Bioorg Med Chem Lett. 1999 Jul 5;9(13):1757-60.Synthesis and identification of conformationally constrained selective MMP inhibitors.
Ref 527412Bioorg Med Chem Lett. 2005 Feb 15;15(4):1101-6.Structure-based design of potent and selective inhibitors of collagenase-3 (MMP-13).
Ref 529388Bioorg Med Chem. 2009 Feb 1;17(3):990-1005. Epub 2008 Mar 6.High throughput screening of potentially selective MMP-13 exosite inhibitors utilizing a triple-helical FRET substrate.
Ref 528065Bioorg Med Chem Lett. 2006 May 15;16(10):2632-6. Epub 2006 Mar 3.A cassette-dosing approach for improvement of oral bioavailability of dual TACE/MMP inhibitors.
Ref 526680J Med Chem. 2003 Jul 31;46(16):3514-25.A potent, selective inhibitor of matrix metalloproteinase-3 for the topical treatment of chronic dermal ulcers.
Ref 530333Bioorg Med Chem Lett. 2009 Oct 1;19(19):5760-3. Epub 2009 Aug 6.The identification of beta-hydroxy carboxylic acids as selective MMP-12 inhibitors.
Ref 536172Selective matrix metalloproteinase inhibition attenuates progression of left ventricular dysfunction and remodeling in dogs with chronic heart failure. Am J Physiol Heart Circ Physiol. 2006 Jun;290(6):H2522-7. Epub 2006 Jan 20.
Ref 529392Bioorg Med Chem. 2009 Feb 1;17(3):1101-8. Epub 2008 Mar 8.Ranking the selectivity of PubChem screening hits by activity-based protein profiling: MMP13 as a case study.

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