BDBM50073362 CHEMBL264550::N-Cyclopentylmethyl-N-{(S)-2-hydroxy-3-[3-((1S,2R)-2-hydroxy-indan-1-yl)-1-phenethyl-ureido]-propyl}-4-methoxy-benzenesulfonamide

SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CC1CCCC1

InChI Key InChIKey=JBEDWMXCNNZBMH-DWCFPWJKSA-N

Data  1 KI

  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 1 hit for monomerid = 50073362   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50073362(CHEMBL264550 | N-Cyclopentylmethyl-N-{(S)-2-hydrox...)
Affinity DataKi:  43nMAssay Description:Binding affinity of the compound against HIV-1 protease was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed