BDBM50073349 CHEMBL121036::{(S)-3-[Cyclopentylmethyl-(4-methoxy-benzenesulfonyl)-amino]-2-hydroxy-propyl}-phenethyl-carbamic acid 1,1-dioxo-hexahydro-1lambda*6*-thiopyran-3-yl ester

SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)OC1CCCS(=O)(=O)C1)CC1CCCC1

InChI Key InChIKey=NNLGAPMXNMMOBH-QODXOHEASA-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 = 50073349   

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

Curated by ChEMBL
LigandPNGBDBM50073349(CHEMBL121036 | {(S)-3-[Cyclopentylmethyl-(4-methox...)
Affinity DataKi:  1.40E+3nMAssay Description:Binding affinity to HIV-1 protease was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed