BDBM50125472 4-[2-carboxy-1-methylcarboxamido-(1S)-ethylcarboxamido]-4-[1-[1-[2-[(R)-1-((R)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-3-butenylcarbamoyl]-(2S)-tetrahydro-1H-1-pyrrolylcarbonyl]-2-methyl-(1S)-propylcarbamoyl]-2-methyl-(1S)-propylcarbamoyl]butanoic acid::CHEMBL15789

SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC=C)B1OC2CC3CC(C3(C)C)[C@@]2(C)O1

InChI Key InChIKey=XVILIFGALUJEKY-KTSWWOKGSA-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 = 50125472   

TargetGenome polyprotein(Hepatitis C virus)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50125472(4-[2-carboxy-1-methylcarboxamido-(1S)-ethylcarboxa...)
Affinity DataKi:  4nMAssay Description:Inhibitory concentration of the compound against HCV NS3 protease was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed