BDBM50045289 6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-hexanoic acid (1-cyclohexylmethyl-2,4-dihydroxy-hexyl)-amide::CHEMBL418948

SMILES CC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCCNC(=S)NC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1

InChI Key InChIKey=UFJYUSGISGEOOF-UHFFFAOYSA-N

Data  4 KI  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50045289   

TargetRenin(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50045289(6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfony...)
Affinity DataIC50: 1nMAssay Description:Inhibitory activity against monkey reninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin E(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50045289(6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfony...)
Affinity DataKi:  15nMAssay Description:Binding affinity against human cathepsin EMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin D(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50045289(6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfony...)
Affinity DataKi:  45nMAssay Description:Binding affinity against human cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGastricsin(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50045289(6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfony...)
Affinity DataKi:  110nMAssay Description:Binding affinity against human gastricsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPepsin A-5(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50045289(6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfony...)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity against human pepsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed