Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50281009'
TargetNeutrophil elastase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50281009(CHEMBL74813 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-o...)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2S\C(SN2C1=O)=C\C(=O)OC(C)(C)C
Show InChI InChI=1S/C12H17NO4S2/c1-6(14)9-10(16)13-11(9)18-8(19-13)5-7(15)17-12(2,3)4/h5-6,9,11,14H,1-4H3/b8-5-/t6-,9+,11-/m1/s1
Affinity DataKi:  1.20E+4nMAssay Description:Inhibitory activity against human leukocyte elastase (HLE) was determinedMore data for this Ligand-Target Pair
In DepthDetails Article
TargetNeutrophil elastase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50281009(CHEMBL74813 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-o...)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2S\C(SN2C1=O)=C\C(=O)OC(C)(C)C
Show InChI InChI=1S/C12H17NO4S2/c1-6(14)9-10(16)13-11(9)18-8(19-13)5-7(15)17-12(2,3)4/h5-6,9,11,14H,1-4H3/b8-5-/t6-,9+,11-/m1/s1
Affinity DataKoff:  150s-1Assay Description:Rate constant for the compound was determined (k2/ki) against human leukocyte elastase (HLE)More data for this Ligand-Target Pair
In DepthDetails Article
TargetNeutrophil elastase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50281009(CHEMBL74813 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-o...)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2S\C(SN2C1=O)=C\C(=O)OC(C)(C)C
Show InChI InChI=1S/C12H17NO4S2/c1-6(14)9-10(16)13-11(9)18-8(19-13)5-7(15)17-12(2,3)4/h5-6,9,11,14H,1-4H3/b8-5-/t6-,9+,11-/m1/s1
Affinity DataKon:  0.00200M-1s-1Assay Description:Rate constant for the compound was determined (k2/ki) against human leukocyte elastase (HLE)More data for this Ligand-Target Pair
In DepthDetails Article