Compile Data Set for Download or QSAR
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Report error Found 11 Enz. Inhib. hit(s) with all data for entry = 50005749
TargetAngiotensin-converting enzyme(Human)
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKi:  2nMAssay Description:Inhibition of ACE (unknown origin) assessed as 3-Hydroxybutyril-glycil-glycil-glycine conversion to 3-hydroxybutyric acid after 60 mins by WST assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetProstaglandin G/H synthase 2(Human)
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM64987(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Affinity DataKi:  1.00E+3nMAssay Description:Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProstaglandin G/H synthase 1(Human)
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM50240347((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Affinity DataKi:  4.00E+3nMAssay Description:Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAngiotensin-converting enzyme(Human)
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM50043280(4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...)
Affinity DataKi:  6.00E+3nMAssay Description:Inhibition of ACE (unknown origin) assessed as 3-Hydroxybutyril-glycil-glycil-glycine conversion to 3-hydroxybutyric acid after 60 mins by WST assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProstaglandin G/H synthase 2(Human)
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKi:  1.20E+4nMAssay Description:Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProstaglandin G/H synthase 1(Human)
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKi:  1.70E+4nMAssay Description:Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProstaglandin G/H synthase 2(Human)
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM22360(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Affinity DataKi:  5.20E+4nMAssay Description:Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetProstaglandin G/H synthase 1(Human)
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM22360(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Affinity DataKi:  6.20E+4nMAssay Description:Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAngiotensin-converting enzyme(Human)
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM50000100((-)-(S)-proline | (-)-2-pyrrolidinecarboxylic acid...)
Affinity DataKi:  8.60E+4nMAssay Description:Inhibition of ACE (unknown origin) assessed as 3-Hydroxybutyril-glycil-glycil-glycine conversion to 3-hydroxybutyric acid after 60 mins by WST assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAngiotensin-converting enzyme(Human)
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM50226181((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Affinity DataKi:  1.67E+5nMAssay Description:Inhibition of ACE (unknown origin) assessed as 3-Hydroxybutyril-glycil-glycil-glycine conversion to 3-hydroxybutyric acid after 60 mins by WST assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAngiotensin-converting enzyme(Human)
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM13216(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Affinity DataKi:  7.15E+5nMAssay Description:Inhibition of ACE (unknown origin) assessed as 3-Hydroxybutyril-glycil-glycil-glycine conversion to 3-hydroxybutyric acid after 60 mins by WST assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed