Therapeutic Targets Database
BIDD Pharmainformatics Databases


Target Validation Information
Target NameCollagenase 3    
Type of TargetDiscontinued target    
Drug Potency against TargetPG-530742Complete Inhibition = 150 ng/mL[1]
PrinomastatIC50 = 0.04 nM[2]
MarimastatIC50 = 2 nM[2]
3-(4-Phenoxy-benzenesulfonyl)-propane-1-thiolIC50 = 0.5 nM[3]
3-(4-Phenoxy-benzenesulfonyl)-cyclohexanethiolIC50 = 1 nM[4]
3-Cyclohexanesulfonyl-heptanoic acid hydroxyamideIC50 = 100 nM[5]
CURCUMINIC50 = 10300 nM[6]
2-(2-(biphenyl-4-yl)ethylsulfonyl)acetic acidIC50 = 11300 nM[7]
(+/-)5-(biphenyl-4-yl)-3-hydroxypentanoic acidIC50 = 12000 nM[7]
4-amino-3-(4-(hexyloxy)phenyl)-4-oxobutanoic acidIC50 = 1300 nM[8]
4-(methyl(4-phenylthiazol-2-yl)amino)phenolIC50 = 13300 nM[6]
N1,N3-bis(3-methoxybenzyl)isophthalamideIC50 = 1350 nM[9]
2-(Biphenyl-4-ylsulfonyl)N-hydroxybenzamideIC50 = 1400 nM[10]
2-(4-methoxybenzylthio)-6-methylpyrimidin-4-olIC50 = 1600 nM[8]
4-(2,2'-bithiophen-5-ylmethyleneamino)phenolIC50 = 1700 nM[6]
3-Benzenesulfonyl-heptanoic acid hydroxyamideIC50 = 18 nM[5]
3-(4-Methoxy-benzenesulfonyl)-cyclohexanethiolIC50 = 22 nM[4]
5-(4'-cyanobiphenyl-4-yl)-3-hydroxypentanoic acidIC50 = 2450 nM[7]
[2-(Biphenyl-4-sulfonyl)phenyl]acetic AcidIC50 = 260 nM[10]
N-Hydroxy-2-(4-phenoxy-benzenesulfonyl)benzamideIC50 = 2700 nM[10]
2-(biphenyl-4-ylsulfonamido)pentanedioic acidIC50 = 280 nM[8]
4-(4-Methoxy-benzenesulfonyl)-butane-2-thiolIC50 = 32 nM[3]
ethyl 2-cyano-2-(quinoxalin-2(1H)-ylidene)acetateIC50 = 3400 nM[6]
3-(4-Methoxy-benzenesulfonyl)-pentane-1-thiolIC50 = 4 nM[3]
CGS-27023AIC50 = 4.3 nM[11]
Ro-37-9790IC50 = 4.9 nM[12]
N4,N6-dibenzylpyrimidine-4,6-dicarboxamideIC50 = 400 nM[13]
1-(4-Methoxy-benzenesulfonyl)-heptane-3-thiolIC50 = 45 nM[3]
ILOMASTATIC50 = 5.2 nM[14]
3-(4-Methoxy-benzenesulfonyl)-propane-1-thiolIC50 = 50 nM[3]
3-(4-Methoxy-benzenesulfonyl)-cyclopentanethiolIC50 = 500 nM[4]
3-(4-Methoxy-benzenesulfonyl)-hexane-1-thiolIC50 = 6 nM[3]
Ro-32-3555IC50 = 7 nM[12]
UK-356618IC50 = 73 nM[15]
TMI-05IC50 = 8 nM[16]
PKF-242-484;TNF-484Ki = 0.5 nM[17]
RS-130830Ki = 0.52 nM[18]
SR-973Ki = 10 nM[19]
IK-682Ki = 1417 nM[20]
Action against Disease ModelPG-530742MMP13 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 relative to 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.[21]
The Effect of Target Knockout, Knockdown or Genetic VariationsSuppressed liver fibrosis induced by cholestasis; Spontaneous abnormal growth plate, increased trabecular bone[22]
Ref 1Am J Physiol Heart Circ Physiol. 2006 Jun;290(6):H2522-7. Epub 2006 Jan 20.Selective matrix metalloproteinase inhibition attenuates progression of left ventricular dysfunction and remodeling in dogs with chronic heart failure. To Reference
Ref 2Curr Pharm Des. 2005;11(3):295-322.Recent developments in the design of specific Matrix Metalloproteinase inhibitors aided by structural and computational studies. To Reference
Ref 3Bioorg 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. To Reference
Ref 4Bioorg Med Chem Lett. 1999 Jul 5;9(13):1757-60.Synthesis and identification of conformationally constrained selective MMP inhibitors. To Reference
Ref 5J Med Chem. 2000 Jun 15;43(12):2324-31.Hydroxamic acid derivatives as potent peptide deformylase inhibitors and antibacterial agents. To Reference
Ref 6Bioorg 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. To Reference
Ref 7Bioorg 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. To Reference
Ref 8Bioorg 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. To Reference
Ref 9Bioorg 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. To Reference
Ref 10J 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. To Reference
Ref 11Bioorg Med Chem Lett. 2001 Apr 23;11(8):1009-13.Heterocycle-based MMP inhibitors with P2' substituents. To Reference
Ref 12Bioorg. Med. Chem. Lett. 7(17):2299-2302 (1997) To Reference
Ref 13Bioorg 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. To Reference
Ref 14J 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. To Reference
Ref 15J 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. To Reference
Ref 16Bioorg Med Chem Lett. 2006 Mar 15;16(6):1605-9. Epub 2006 Jan 19.Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates. To Reference
Ref 17Bioorg 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. To Reference
Ref 18Bioorg Med Chem Lett. 2005 Feb 15;15(4):1101-6.Structure-based design of potent and selective inhibitors of collagenase-3 (MMP-13). To Reference
Ref 19Bioorg Med Chem Lett. 2006 May 1;16(9):2357-63. Epub 2006 Feb 10.Synthesis and evaluation of succinoyl-caprolactam gamma-secretase inhibitors. To Reference
Ref 20J 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. To Reference
Ref 21Med Res Rev. 2010 Mar 1.Selective MMP13 inhibitors. To Reference
Ref 22Nat Rev Drug Discov. 2007 Jun;6(6):480-98.Matrix metalloproteinase inhibitors as therapy for inflammatory and vascular diseases. To Reference


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