Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50281004'
TargetNeutrophil elastase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50281004(CHEMBL419820 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-...)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2C\C(SN2C1=O)=C/C(=O)OC(C)(C)C
Show InChI InChI=1S/C13H19NO4S/c1-7(15)11-9-5-8(19-14(9)12(11)17)6-10(16)18-13(2,3)4/h6-7,9,11,15H,5H2,1-4H3/b8-6+/t7-,9-,11-/m1/s1
Affinity DataKi:  3.20E+3nM Koff:  130s-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
LigandPNGBDBM50281004(CHEMBL419820 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-...)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2C\C(SN2C1=O)=C/C(=O)OC(C)(C)C
Show InChI InChI=1S/C13H19NO4S/c1-7(15)11-9-5-8(19-14(9)12(11)17)6-10(16)18-13(2,3)4/h6-7,9,11,15H,5H2,1-4H3/b8-6+/t7-,9-,11-/m1/s1
Affinity DataKon:  0.000400M-1s-1Assay Description:Rate constant for the compound was determined against human leukocyte elastase (HLE)More data for this Ligand-Target Pair
In DepthDetails Article
TargetNeutrophil elastase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50281004(CHEMBL419820 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-...)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2C\C(SN2C1=O)=C/C(=O)OC(C)(C)C
Show InChI InChI=1S/C13H19NO4S/c1-7(15)11-9-5-8(19-14(9)12(11)17)6-10(16)18-13(2,3)4/h6-7,9,11,15H,5H2,1-4H3/b8-6+/t7-,9-,11-/m1/s1
Affinity DataKoff:  130s-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