BDBM123408 US8741926, 55

SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/C3C[C@]3(NC4=O)C(O)=O)cc(nc2c1Cl)-c1nc(cs1)C(C)C

InChI Key InChIKey=DGROTVCEUFXOSG-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 = 123408   

TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Janssen Ireland

US Patent
LigandPNGBDBM123408(US8741926, 55)
Affinity DataKi:  5nM ΔG°:  -11.5kcal/molepH: 7.5 T: 2°CAssay Description:The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2014
Entry Details
Go to US Patent