BDBM50024102 ((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-acetic acid::(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-GLYCINE::(S) (2-Mercaptomethyl-3-phenyl-propionylamino)-acetic acid::2-[1-(2-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl-ethylamino]-4-phenyl-butyric acid(Thiorphan)::CHEMBL298827

SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1

InChI Key InChIKey=LJJKNPQAGWVLDQ-SNVBAGLBSA-N

Data  9 KI  9 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50024102   

TargetNeprilysin(Homo sapiens (Human))
Pharmaleads

Curated by ChEMBL

LigandBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)Copy SMILESCopy InChI

Affinity DataKi:  1.5nMAssay Description:Inhibition of human recombinant NEP using Suc-Ala-Ala-Phe-AMC as substrate after 30 mins by fluorimetryMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankKEGGMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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