BDBM50011345 CHEMBL3143483::Phosphoric acid mono-{4-[2-(1-{[1-(2-hydroxy-1-isobutyl-5-methyl-4-{2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-hexylcarbamoyl)-2-(3H-imidazol-4-yl)-ethyl]-methyl-carbamoyl}-2-phenyl-ethylcarbamoyl)-pyrrolidin-1-yl]-4-oxo-butyl} ester

SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCOP(O)(O)=O)C(C)C)C(=O)NCc1ccccn1

InChI Key InChIKey=JNZVHVKLIVQYNX-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50011345   

TargetRenin(Homo sapiens (Human))
Upjohn

Curated by ChEMBL
LigandPNGBDBM50011345(CHEMBL3143483 | Phosphoric acid mono-{4-[2-(1-{[1-...)
Affinity DataIC50:  0.450nMAssay Description:Inhibition of human plasma renin.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed