BDBM50044867 7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-octahydro-benzo[c]pyrido[1,2-a]azepine-4-carboxylic acid::CHEMBL309836

SMILES OC(=O)[C@H]1CCCC2N1C(=O)[C@H](CS)Cc1ccccc21

InChI Key InChIKey=VOBYAAOXHXIEJG-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50044867   

TargetAngiotensin-converting enzyme(Rabbit)
Marion Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM50044867(7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-octahydro...)
Affinity DataKi:  2nMAssay Description:Binding affinity of compound against rabbit lung angiotensin I-converting enzyme (ACE) was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAngiotensin-converting enzyme(Rabbit)
Marion Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM50044867(7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-octahydro...)
Affinity DataKi: >7nMAssay Description:Binding affinity of compound against rabbit lung angiotensin I-converting enzyme (ACE) was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNeprilysin(Rat)
Marion Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM50044867(7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-octahydro...)
Affinity DataKi:  45nMAssay Description:Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNeprilysin(Rat)
Marion Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM50044867(7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-octahydro...)
Affinity DataKi: >300nMAssay Description:Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed