BDBM17347 (3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-octahydroazepino[2,1-b][1,3]thiazole-3-carboxamide::peptide isostere, 10

SMILES [H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@@H](CS2)C(=O)Nc1cc(C)nn1-c1ccccc1

InChI Key InChIKey=YYBUDMKKCZIZQP-UHFFFAOYSA-N

Data  5 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 = 17347   

LigandPNGBDBM17347((3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...)
Affinity DataKi:  490nM ΔG°:  -8.52kcal/molepH: 7.2 T: 2°CAssay Description:Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2007
Entry Details Article
PubMed