BDBM50187930 4-{(7R,9S,12S)-9-[1-((S)-dimethylcarbamoyl-phenyl-methyl)-carbamoyl]-methyl}-aminooxalyl)-butylcarbamoyl)-11,14-dioxo-2,6-dioxa-10,13-diaza-tricyclo[14.3.1.1*7,10*]henicosa-1(19),16(20),17-trien-12-yl)-cyclohexanecarboxylic acid::CHEMBL3085034

SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@]([H])(NC(=O)Cc1cccc(OCCCO2)c1)[C@@]1([H])CC[C@@H](CC1)C(O)=O)C(=O)NC(CCC)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1

InChI Key InChIKey=DTDQPUBMECMTEJ-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50187930   

TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50187930(4-{(7R,9S,12S)-9-[1-((S)-dimethylcarbamoyl-phenyl-...)
Affinity DataKi:  19nMAssay Description:Binding affinity to HCV NS3 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed