BDBM12498 (2S)-({N-[3-({[(7R,9S,12S)-12-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-trien-9-yl]carbonyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)acetic acid N,N-dimethyl amide::3-{[(7R,9S,12S)-12-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.1^{7,10}]henicosa-1(20),16,18-trien-9-yl]formamido}-N-({[(S)-(dimethylcarbamoyl)(phenyl)methyl]carbamoyl}methyl)-2-oxohexanamide::Proline-Based Macrocycle 51

SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C1Cc2ccccc2C1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1

InChI Key InChIKey=TUHFONVJWAMROS-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 12498   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM12498((2S)-({N-[3-({[(7R,9S,12S)-12-(2,3-dihydro-1H-inde...)
Affinity DataKi:  40nMAssay Description:Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/12/2006
Entry Details Article
PubMed