Compile Data Set for Download or QSAR
maximum 50k data
Found 85 Enz. Inhib. hit(s) with all data for entry = 50000609
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254782(CHEMBL4086240)
Affinity DataKi:  2.5nMAssay Description:Agonist activity at human 5-HT2C receptor expressed in mouse NIH/3T3 cells assessed as induction of IP3 formation after 0.5 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254783(CHEMBL4092042)
Affinity DataKi:  2.5nMAssay Description:Agonist activity at human 5-HT2C receptor expressed in mouse NIH/3T3 cells assessed as induction of IP3 formation after 0.5 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50001859((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Affinity DataKi:  4.80nMAssay Description:Binding affinity to 5-HT1A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Bos taurus (Bovine))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataKi:  20nMAssay Description:Inhibition of bovine plasma thrombin using chromogenix AB as substrate after 30 secs by UV-spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254781(CHEMBL4083414)
Affinity DataKi:  30nMAssay Description:Inhibition of human plasma thrombin using chromogenix AB as substrate after 30 secs by UV-spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50005132(4,4-Dimethyl-1-[4-(4-pyrimidin-2-yl-piperazin-1-yl...)
Affinity DataKi:  32nMAssay Description:Binding affinity to 5-HT1A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataKi:  40nMAssay Description:Inhibition of human plasma thrombin using chromogenix AB as substrate after 30 secs by UV-spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254811(CHEMBL4091198)
Affinity DataKi:  40nMAssay Description:Inhibition of human plasma thrombin using chromogenix AB as substrate after 30 secs by UV-spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Bos taurus (Bovine))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254781(CHEMBL4083414)
Affinity DataKi:  50nMAssay Description:Inhibition of bovine plasma thrombin using chromogenix AB as substrate after 30 secs by UV-spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Bos taurus (Bovine))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254811(CHEMBL4091198)
Affinity DataKi:  50nMAssay Description:Inhibition of bovine plasma thrombin using chromogenix AB as substrate after 30 secs by UV-spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Bos taurus (Bovine))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254803(CHEMBL4101401)
Affinity DataKi:  50nMAssay Description:Inhibition of bovine plasma thrombin using chromogenix AB as substrate after 30 secs by UV-spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50001859((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Affinity DataKi:  484nMAssay Description:Displacement of [3H]methylspiperone from human D2 receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProthrombin(Bos taurus (Bovine))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254804(CHEMBL4063331)
Affinity DataKi:  500nMAssay Description:Inhibition of bovine plasma thrombin using chromogenix AB as substrate after 30 secs by UV-spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50001859((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Affinity DataKi:  3.24E+3nMAssay Description:Binding affinity to 5-HT2A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50005132(4,4-Dimethyl-1-[4-(4-pyrimidin-2-yl-piperazin-1-yl...)
Affinity DataKi:  3.63E+3nMAssay Description:Binding affinity to 5-HT2A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50005132(4,4-Dimethyl-1-[4-(4-pyrimidin-2-yl-piperazin-1-yl...)
Affinity DataKi:  4.32E+3nMAssay Description:Displacement of [3H]methylspiperone from human D2 receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254802(CHEMBL4088630)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of human interstitial recombinant N-terminal MMP1 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as sub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254802(CHEMBL4088630)
Affinity DataIC50:  0.700nMAssay Description:Inhibition of truncated human recombinant MMP3 catalytic domain expressed in Escherichia coli BL21(DE3) after 3 hrs in presence of [H]-transferrinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  0.700nMAssay Description:Inhibition of truncated human recombinant MMP3 catalytic domain expressed in Escherichia coli BL21(DE3) after 3 hrs in presence of [H]-transferrinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil collagenase(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254802(CHEMBL4088630)
Affinity DataIC50:  0.700nMAssay Description:Inhibition of MMP8 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  0.800nMAssay Description:Inhibition of human interstitial recombinant N-terminal MMP1 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as sub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50139181((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...)
Affinity DataIC50:  0.900nMAssay Description:Inhibition of HMG-CoA reductase (unknown origin) using [14C]-HMG-CoA as substrate after 5 mins in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  0.900nMAssay Description:Inhibition of MMP13 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254802(CHEMBL4088630)
Affinity DataIC50:  0.900nMAssay Description:Inhibition of MMP9 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50089619(9-(3,4-Dimethoxy-phenyl)-4a,12a-dihydroxy-4,4,6a,1...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human erythrocyte AChEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50082555(4-(4-Methoxy-benzenesulfonyl)-thiomorpholine-3-car...)
Affinity DataIC50:  1nMAssay Description:Inhibition of MMP13 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254802(CHEMBL4088630)
Affinity DataIC50:  1nMAssay Description:Inhibition of MMP13 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil collagenase(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of MMP8 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254802(CHEMBL4088630)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of MMP2 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  1.90nMAssay Description:Inhibition of MMP9 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254789(CHEMBL4067375)
Affinity DataIC50:  1.90nMAssay Description:Inhibition of MMP13 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50082538((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-1,1...)
Affinity DataIC50:  1.90nMAssay Description:Inhibition of human interstitial recombinant N-terminal MMP1 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as sub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50082538((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-1,1...)
Affinity DataIC50:  2.10nMAssay Description:Inhibition of MMP13 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM34168(LOVASTATIN | MLS000069585 | SMR000058779 | US91151...)
Affinity DataIC50:  2.20nMAssay Description:Inhibition of HMG-CoA reductase (unknown origin) using [14C]-HMG-CoA as substrate after 5 mins in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254788(CHEMBL4088701)
Affinity DataIC50:  2.20nMAssay Description:Inhibition of HMG-CoA reductase (unknown origin) using [14C]-HMG-CoA as substrate after 5 mins in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254786(CHEMBL4102322)
Affinity DataIC50:  2.30nMAssay Description:Inhibition of GP2b/3a in human platelet-rich plasma assessed as reduction in collagen-induced platelet aggregation preincubated for 1 min followed by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil collagenase(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50082538((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-1,1...)
Affinity DataIC50:  2.40nMAssay Description:Inhibition of MMP8 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50066659(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)
Affinity DataIC50:  2.70nMAssay Description:Inhibition of MMP9 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  2.70nMAssay Description:Inhibition of MMP2 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50082538((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-1,1...)
Affinity DataIC50:  3.60nMAssay Description:Inhibition of MMP9 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50066657(1,3-Bis-(4-methoxy-benzenesulfonyl)-hexahydro-pyri...)
Affinity DataIC50:  3.90nMAssay Description:Inhibition of MMP9 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254789(CHEMBL4067375)
Affinity DataIC50:  4.30nMAssay Description:Inhibition of truncated human recombinant MMP3 catalytic domain expressed in Escherichia coli BL21(DE3) after 3 hrs in presence of [H]-transferrinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50082538((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-1,1...)
Affinity DataIC50:  6.90nMAssay Description:Inhibition of truncated human recombinant MMP3 catalytic domain expressed in Escherichia coli BL21(DE3) after 3 hrs in presence of [H]-transferrinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50082538((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-1,1...)
Affinity DataIC50:  7.80nMAssay Description:Inhibition of MMP2 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInsulin-like growth factor 1 receptor(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254813(CHEMBL4096340)
Affinity DataIC50:  10nMAssay Description:Antagonist activity at human GST-tagged IGF-1R (950 to 133 residues) expressed in baculovirus after 5 mins in presence of [gamma33P]-ATP by top count...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium/hydrogen exchanger 1(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50104844(BMS-284640 | CHEMBL51879 | N-[(1R,3R)-3-(2,3-Dihyd...)
Affinity DataIC50:  10nMAssay Description:Inhibition of human NHE1 by cell based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50082555(4-(4-Methoxy-benzenesulfonyl)-thiomorpholine-3-car...)
Affinity DataIC50:  15nMAssay Description:Inhibition of truncated human recombinant MMP3 catalytic domain expressed in Escherichia coli BL21(DE3) after 3 hrs in presence of [H]-transferrinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50066659(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)
Affinity DataIC50:  18nMAssay Description:Inhibition of truncated human recombinant MMP3 catalytic domain expressed in Escherichia coli BL21(DE3) after 3 hrs in presence of [H]-transferrinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50092119((1-{3-[2-Fluoro-4-(imino-thiazolidin-3-yl-methyl)-...)
Affinity DataIC50:  22nMAssay Description:Inhibition of human GP2b/3a interaction with human fibrinogen after 3 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrilysin(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50254802(CHEMBL4088630)
Affinity DataIC50:  23nMAssay Description:Inhibition of MMP7 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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