BDBM50073120 (4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylamino)-5-oxo-octahydro-9-thia-4a-aza-benzocycloheptene-4-carboxylic acid::(4S,7S,10aS)-4-((S)-2-mercapto-3-phenylpropanamido)-5-oxo-octahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylic acid::BMS-186716::CHEMBL289556::OMAPATRILAT

SMILES OC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12

InChI Key InChIKey=LVRLSYPNFFBYCZ-VGWMRTNUSA-N

Data  5 KI  10 IC50

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50073120   

TargetAngiotensin-converting enzyme(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50073120((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Affinity DataKi:  0.0150nMAssay Description:Inhibition of human fully glycosylated ACE N-terminal domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins follo...More data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50073120((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of human fully glycosylated ACE C-terminal domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins follo...More data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50073120((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Affinity DataKi:  6nMAssay Description:Inhibition of human somatic ACE C-terminal domainMore data for this Ligand-Target Pair
TargetNeprilysin(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50073120((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Affinity DataKi:  9nMAssay Description:Inhibition of human somatic NEPMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Theravance Biopharma Us

Curated by ChEMBL
LigandPNGBDBM50073120((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Affinity DataKi: <1.00E+4nMAssay Description:Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50073120((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human fully glycosylated ACE C-terminal domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins follo...More data for this Ligand-Target Pair
TargetNeprilysin(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50073120((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of NEP (unknown origin) preincubated for 10 mins followed by fluorogenic substrate addition and measured after 20 mins by fluorescence ass...More data for this Ligand-Target Pair
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Theravance Biopharma Us

Curated by ChEMBL
LigandPNGBDBM50073120((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Affinity DataIC50:  200nMAssay Description:Inhibition of APP (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50073120((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Affinity DataIC50:  0.100nMAssay Description:Inhibition of recombinant human ACE using Mca-BK2 as substrate preincubated for 10 mins followed by fluorogenic substrate addition and measured after...More data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50073120((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Affinity DataIC50:  2nMAssay Description:Inhibition of human fully glycosylated ACE N-terminal domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins follo...More data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50073120((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Affinity DataIC50:  9nMAssay Description:Inhibition of Neutral endopeptidaseMore data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50073120((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Affinity DataIC50:  8nMAssay Description:In vitro inhibitory activity against purified rat kidney neutral endopeptidase (NEP) using a fluorometric assay with dansyl-Gly-Phe-Arg as the substr...More data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50073120((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Affinity DataIC50:  8nMAssay Description:Inhibition of rat kidney NEP using dansyl-Gly-Phe-Arg as substrate by fluorometric assayMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Oryctolagus cuniculus)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50073120((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Affinity DataIC50:  6nMAssay Description:Inhibition of Angiotensin I converting enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Oryctolagus cuniculus)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50073120((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Affinity DataIC50:  5nMAssay Description:In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed