Compile Data Set for Download or QSAR
maximum 50k data
Found 180 Enz. Inhib. hit(s) with all data for entry = 50036895
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM578((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...)
Affinity DataKi:  0.00400nMAssay Description:Binding affinity against ritonavir-resistant strains.Checked by AuthorMore data for this Ligand-Target Pair
TargetCathepsin D(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM912((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Affinity DataKi:  0.0100nMAssay Description:Binding affinity against human cathepsin DChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetNeutrophil elastase(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50036477(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Affinity DataKi:  0.0130nMAssay Description:Binding affinity against Elastase.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM729((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(2S)-...)
Affinity DataKi:  0.0310nMAssay Description:Binding affinity against HIV-1 protease .Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50082556((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Affinity DataKi:  0.0380nMAssay Description:Inhibition of matrix metalloprotease-13 (MMP-13).Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50057826((S)-1-((R)-2-Amino-3,3-dicyclohexyl-propionyl)-pyr...)
Affinity DataKi:  0.0560nMAssay Description:Binding affinity against Thrombin.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50082556((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Affinity DataKi:  0.0830nMAssay Description:Inhibition of matrix metalloprotease-2 (MMP-2).Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50084664(({3-(5-Carbamimidoyl-2-hydroxy-phenoxy)-2,6-difluo...)
Affinity DataKi:  0.100nMAssay Description:Binding affinity against Coagulation factor XChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Human rhinovirus B)
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM729((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(2S)-...)
Affinity DataKi:  0.134nMAssay Description:Binding affinity against HIV-1 protease .Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50084682(1-[3-(4-Carbamimidoyl-phenyl)-2-(2-methyl-1,2,3,4-...)
Affinity DataKi:  0.210nMAssay Description:Binding affinity against Thrombin.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM11863(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Affinity DataKi:  0.220nMAssay Description:Inhibition of matrix metalloprotease-2 (MMP-2).Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50082556((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Affinity DataKi:  0.270nMAssay Description:Inhibition of matrix metalloprotease-3 (MMP-3).Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50037991(CHEMBL325166 | NAPSAGATRAN | Ro-46-6240 | {[(S)-3-...)
Affinity DataKi:  0.300nMAssay Description:Binding affinity against Thrombin.Checked by AuthorMore data for this Ligand-Target Pair
TargetCaspase-1(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50068972((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...)
Affinity DataKi:  0.370nMAssay Description:The binding affinity against IL-1 beta converting enzymeChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil elastase(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50058491(3-{4-[2-(4-{1-[4-(2-Carboxy-2-methyl-propane-1-sul...)
Affinity DataKi:  0.450nMAssay Description:Binding affinity against Elastase.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50084686(1-[3-(4-Carbamimidoyl-phenyl)-2-(2-methyl-1,2,3,4-...)
Affinity DataKi:  0.460nMAssay Description:Binding affinity against TrypsinChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM11863(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Affinity DataKi:  0.520nMAssay Description:Inhibition of matrix metalloprotease-13 (MMP-13).Checked by AuthorMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)
Affinity DataKi:  0.520nMAssay Description:Binding affinity against HIV-1 protease enzyme.Checked by AuthorMore data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM11863(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Affinity DataKi:  0.580nMAssay Description:Inhibition of matrix metalloprotease-9 (MMP-9).Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Affinity DataKi:  0.600nMAssay Description:Binding affinity against HIV-proteaseChecked by AuthorMore data for this Ligand-Target Pair
TargetSerine protease 1(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50084682(1-[3-(4-Carbamimidoyl-phenyl)-2-(2-methyl-1,2,3,4-...)
Affinity DataKi:  0.700nMAssay Description:Binding affinity against TrypsinChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50077669((S)-2-Benzyl-N-[(S)-1-((1S,2R,3S)-1-cyclohexylmeth...)
Affinity DataKi:  0.700nMAssay Description:Binding affinity against aspartic protease renin.Checked by AuthorMore data for this Ligand-Target Pair
TargetCathepsin D(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50084670(CHEMBL323806 | N-[3-[2-(2-Bromo-4,5-dimethoxy-phen...)
Affinity DataKi:  0.700nMAssay Description:Binding affinity against aspartic proteasesChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM17941((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...)
Affinity DataKi:  0.700nMAssay Description:Binding affinity against aspartic protease renin.Checked by AuthorMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50041291(2-[(R)-3-(1,1-Dimethyl-2-phenyl-ethyl)-2,4,8-triox...)
Affinity DataKi:  0.950nMAssay Description:Binding affinity against Elastase.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50084633((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...)
Affinity DataKi:  1.30nMAssay Description:The binding affinity against IL-1 beta converting enzymeChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50084617(((7-carbamimidoyl-naphthalen-2-ylmethyl)-{4-[1-(1-...)
Affinity DataKi:  1.30nMAssay Description:Binding affinity against Coagulation factor XChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50062632((S)-1-(9-Hydroxy-9H-fluorene-9-carbonyl)-pyrrolidi...)
Affinity DataKi:  1.5nMAssay Description:Binding affinity against Thrombin.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Human rhinovirus B)
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50084657(1-Benzo[b]thiophen-6-ylmethyl-2,3-dioxo-2,3-dihydr...)
Affinity DataKi:  2nMAssay Description:The binding affinity against HRV-143C protease.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50366785(NELFINAVIR)
Affinity DataKi:  2nMAssay Description:Binding affinity against HIV-protease inhibitor.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM30344(Cipemastat | Trocade)
Affinity DataKi:  3nMAssay Description:Inhibition of matrix metalloprotease-1 (MMP-1).Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM30344(Cipemastat | Trocade)
Affinity DataKi:  3nMAssay Description:Inhibition of matrix metalloprotease-13 (MMP-13).Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Human rhinovirus B)
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)
Affinity DataKi:  3.30nMAssay Description:Binding affinity against HIV-2 protease enzyme.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50366780(BMS-189090 | CHEMBL138877)
Affinity DataKi:  3.60nMAssay Description:Binding affinity against Thrombin.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil collagenase(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM30344(Cipemastat | Trocade)
Affinity DataKi:  4nMAssay Description:Inhibition of matrix metalloprotease-8 (MMP-8).Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Human rhinovirus B)
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50084675(CHEMBL114869 | {1-[1-(1-Dimethylcarbamoylmethyl-2-...)
Affinity DataKi:  5nMAssay Description:The binding affinity against Protease 3CChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50084635(3-[(9-Benzoylamino-6,10-dioxo-octahydro-pyridazino...)
Affinity DataKi:  5nMAssay Description:The binding affinity against IL-1 beta converting enzymeChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeprilysin(Rattus norvegicus (Rat))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50084628(2-(2-Benzo[1,3]dioxol-5-ylmethyl-3-carboxysulfanyl...)
Affinity DataKi:  5.60nMAssay Description:Inhibitory activity against neutral EndopeptidaseChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil elastase(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50036068(2-(1-Oxo-3-phenyl-1,9-dihydro-beta-carbolin-2-yl)-...)
Affinity DataKi:  6.10nMAssay Description:The in vitro potency against elastase.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalpain-1 catalytic subunit(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
Affinity DataKi:  7nMAssay Description:The binding affinity against calpain.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM8465((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Affinity DataKi:  8nMAssay Description:Inhibition of matrix metalloprotease-9 (MMP-9).Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50082556((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Affinity DataKi:  8.20nMAssay Description:Inhibition of matrix metalloprotease-1 (MMP-1).Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50084626(CHEMBL284440 | N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-N...)
Affinity DataKi:  9nMAssay Description:Binding affinity against aspartic proteasesChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM11863(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Affinity DataKi:  9.30nMAssay Description:Inhibition of matrix metalloprotease-3 (MMP-3).Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil elastase(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50035947(2-{3-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-be...)
Affinity DataKi:  9.40nMAssay Description:Binding affinity against Elastase.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50084628(2-(2-Benzo[1,3]dioxol-5-ylmethyl-3-carboxysulfanyl...)
Affinity DataKi:  9.80nMAssay Description:Inhibitory activity against angiotensin I converting enzyme (ACE)Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50074024((2S,3R)-3-(4-Methoxy-benzenesulfonyl)-2-methyl-7-p...)
Affinity DataKi:  10nMAssay Description:Inhibition of matrix metalloprotease-2 (MMP-2).Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50084661(4-(4'-Chloro-biphenyl-4-yl)-4-oxo-2-phenylsulfanyl...)
Affinity DataKi:  11nMAssay Description:Inhibition of matrix metalloprotease-2 (MMP-2).Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil elastase(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50061024((2-Methyl-1-{(S)-oxo-[(S)-2-((S)-3,3,3-trifluoro-1...)
Affinity DataKi:  13nMAssay Description:oral activity of the compoundChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50084688(2-Amino-N-[1-[1-(1-cyclohexylmethyl-2,3-dihydroxy-...)
Affinity DataKi:  14nMAssay Description:Binding affinity against aspartic protease renin.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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