Compile Data Set for Download or QSAR
Report error 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.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetCathepsin D(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM912(PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...)
Affinity DataKi:  0.0100nMAssay Description:Binding affinity against human cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetNeutrophil elastase(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.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM729(CHEMBL13134 | BILA 2011 BS | (2S,4R)-N-tert-butyl-...)
Affinity DataKi:  0.0310nMAssay Description:Binding affinity against HIV-1 protease. More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetCollagenase 3(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50082556(AG-3340 | 2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benz...)
Affinity DataKi:  0.0380nMAssay Description:Inhibition of matrix metalloprotease-13 (MMP-13).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50057826(1-(2-Amino-3,3-dicyclohexyl-propionyl)-pyrrolidine...)
Affinity DataKi:  0.0560nMAssay Description:Binding affinity against Thrombin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
Target72 kDa type IV collagenase(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50082556(AG-3340 | 2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benz...)
Affinity DataKi:  0.0830nMAssay Description:Inhibition of matrix metalloprotease-2 (MMP-2).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetCoagulation factor X(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 XMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetGenome polyprotein(Human rhinovirus B)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM729(CHEMBL13134 | BILA 2011 BS | (2S,4R)-N-tert-butyl-...)
Affinity DataKi:  0.134nMAssay Description:Binding affinity against HIV-1 protease. More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetProthrombin(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.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
Target72 kDa type IV collagenase(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM11863(CHEMBL440498 | alpha-tetrahydropyran beta-sulfone ...)
Affinity DataKi:  0.220nMAssay Description:Inhibition of matrix metalloprotease-2 (MMP-2).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetStromelysin-1(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50082556(AG-3340 | 2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benz...)
Affinity DataKi:  0.270nMAssay Description:Inhibition of matrix metalloprotease-3 (MMP-3).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50037991({[3-[(1-Carbamimidoyl-piperidin-3-ylmethyl)-carbam...)
Affinity DataKi:  0.300nMAssay Description:Binding affinity against Thrombin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCaspase-1(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 enzymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetAngiotensin-converting enzyme(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084629(1-(3-Benzoylsulfanyl-2-methyl-propionyl)-4-phenyls...)
Affinity DataIC50: 0.400nMAssay Description:Inhibitory activity against angiotensin I converting enzyme (ACE)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetNeutrophil elastase(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.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetSerine protease 1(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 TrypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM517(Crixivan | CHEMBL115 | L-735, 524 | MK639 | Indina...)
Affinity DataKi:  0.520nMAssay Description:Binding affinity against HIV-1 protease enzyme.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetCollagenase 3(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM11863(CHEMBL440498 | alpha-tetrahydropyran beta-sulfone ...)
Affinity DataKi:  0.520nMAssay Description:Inhibition of matrix metalloprotease-13 (MMP-13).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMatrix metalloproteinase-9(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM11863(CHEMBL440498 | alpha-tetrahydropyran beta-sulfone ...)
Affinity DataKi:  0.580nMAssay Description:Inhibition of matrix metalloprotease-9 (MMP-9).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM577(VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...)
Affinity DataKi:  0.600nMAssay Description:Binding affinity against HIV-proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetRenin(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.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCathepsin D(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084670(N-[3-[2-(2-Bromo-4,5-dimethoxy-phenoxy)-acetylamin...)
Affinity DataKi:  0.700nMAssay Description:Binding affinity against aspartic proteasesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetRenin(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50077669(CHEMBL31601 | 2-Benzyl-N-[1-(1-cyclohexylmethyl-3-...)
Affinity DataKi:  0.700nMAssay Description:Binding affinity against aspartic protease renin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetSerine protease 1(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 TrypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetProcathepsin L(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084674([1-(1-Formyl-2-phenyl-ethylcarbamoyl)-2-phenyl-eth...)
Affinity DataIC50: 0.740nMAssay Description:Inhibitory activity against cathepsin L, lysosomal cysteine proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetProcathepsin L(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084650({1-[1-Formyl-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-...)
Affinity DataIC50: 0.850nMAssay Description:Inhibitory activity against cathepsin L, lysosomal cysteine proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetAngiotensin-converting enzyme(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50369775(Mavik | RU-44570 | TRANDOLAPRIL)
Affinity DataIC50: 0.930nMAssay Description:Inhibitory activity against angiotensin I converting enzyme (ACE)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetNeutrophil elastase(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50041291(2-[3-(1,1-Dimethyl-2-phenyl-ethyl)-2,4,8-trioxo-6-...)
Affinity DataKi:  0.950nMAssay Description:Binding affinity against Elastase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetAngiotensin-converting enzyme(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084622((4S)-4-cyclohexyl-1-({[2-methyl-1-(propanoyloxy)pr...)
Affinity DataIC50: 1nMAssay Description:Inhibitory activity against angiotensin I converting enzyme (ACE)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetRenin(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50046798(zankiren | 2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-d...)
Affinity DataIC50: 1.10nMAssay Description:Inhibition activity against human plasma renin at pH=7.4.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetCoagulation factor X(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084617(YM-60828 | ((7-carbamimidoyl-naphthalen-2-ylmethyl...)
Affinity DataKi:  1.30nMAssay Description:Binding affinity against Coagulation factor XMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetCaspase-1(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084633(3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2,3...)
Affinity DataKi:  1.30nMAssay Description:The binding affinity against IL-1 beta converting enzymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetRenin(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084627(2-(2-Amino-thiazol-4-ylmethyl)-N*4*-cyclohexylmeth...)
Affinity DataIC50: 1.40nMpH: 6.0Assay Description:Inhibitory concentration against human plasma renin at pH 6.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50062632(1-(9-Hydroxy-9H-fluorene-9-carbonyl)-pyrrolidine-2...)
Affinity DataKi:  1.5nMAssay Description:Binding affinity against Thrombin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetAngiotensin-converting enzyme(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50021153([(3S)-3-{[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]a...)
Affinity DataIC50: 1.70nMAssay Description:Inhibitory activity against angiotensin I converting enzyme (ACE)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetProcathepsin L(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084677(3-Methyl-2-(naphthalene-1-sulfonylamino)-pentanoic...)
Affinity DataIC50: 1.90nMAssay Description:Inhibitory activity against cathepsin LMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
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.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
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.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetNeutrophil collagenase(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084665(N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1...)
Affinity DataIC50: 2nMAssay Description:Inhibition of matrix metalloprotease-8 (MMP-8).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetAngiotensin-converting enzyme(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084673(CHEMBL1165 | (S)-2-((S)-2-((S)-1-ethoxy-1-oxo-4-ph...)
Affinity DataIC50: 2.60nMAssay Description:Inhibitory activity against angiotensin I converting enzyme (ACE)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetCollagenase 3(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM30344(Trocade | Cipemastat)
Affinity DataKi:  3nMAssay Description:Inhibition of matrix metalloprotease-13 (MMP-13).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetMatrix metalloproteinase-9(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084665(N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1...)
Affinity DataIC50: 3nMAssay Description:Inhibition of matrix metalloprotease-9 (MMP-9).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetInterstitial collagenase(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM30344(Trocade | Cipemastat)
Affinity DataKi:  3nMAssay Description:Inhibition of matrix metalloprotease-1 (MMP-1).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetGenome polyprotein(Human rhinovirus B)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM517(Crixivan | CHEMBL115 | L-735, 524 | MK639 | Indina...)
Affinity DataKi:  3.30nMAssay Description:Binding affinity against HIV-2 protease enzyme.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50366780(BMS-189090 | CHEMBL138877)
Affinity DataKi:  3.60nMAssay Description:Binding affinity against Thrombin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetAngiotensin-converting enzyme(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084681(CHEMBL1168 | 1-[2-(1-Ethoxycarbonyl-3-phenyl-propy...)
Affinity DataIC50: 4nMAssay Description:Inhibitory activity against angiotensin I converting enzyme (ACE)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetNeutrophil collagenase(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM30344(Trocade | Cipemastat)
Affinity DataKi:  4nMAssay Description:Inhibition of matrix metalloprotease-8 (MMP-8).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetNeprilysin(Rat)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataIC50: 4nMAssay Description:Inhibitory activity against EndopeptidaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetRenin(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084651(3-{2-[2-Benzyl-4-(4-methylamino-piperidin-1-yl)-4-...)
Affinity DataIC50: 4nMAssay Description:Inhibitory concentration against ReninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
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