BDBM50045280 CHEMBL88654::N-[2-(5-Amino-thiophen-3-yl)-1-(1-cyclohexylmethyl-2,4-dihydroxy-hexylcarbamoyl)-ethyl]-2-(morpholine-4-sulfonylamino)-3-phenyl-propionamide

SMILES CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)c1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1

InChI Key InChIKey=WYYVIFHQMYJLJN-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 = 50045280   

TargetRenin(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50045280(N-[2-(5-Amino-thiophen-3-yl)-1-(1-cyclohexylmethyl...)
Affinity DataIC50: 0.300nMAssay Description:Inhibitory activity against monkey reninMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCathepsin D(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50045280(N-[2-(5-Amino-thiophen-3-yl)-1-(1-cyclohexylmethyl...)
Affinity DataKi:  208nMAssay Description:Binding affinity against human cathepsin DMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCathepsin E(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50045280(N-[2-(5-Amino-thiophen-3-yl)-1-(1-cyclohexylmethyl...)
Affinity DataKi:  300nMAssay Description:Binding affinity against human cathepsin EMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGastricsin(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50045280(N-[2-(5-Amino-thiophen-3-yl)-1-(1-cyclohexylmethyl...)
Affinity DataKi: >4.00E+3nMAssay Description:Binding affinity against human gastricsinMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPepsin A-5(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50045280(N-[2-(5-Amino-thiophen-3-yl)-1-(1-cyclohexylmethyl...)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity against human pepsinMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed