BDBM95850 1-[(2R,3S)-2-[[benzyl(methyl)amino]methyl]-5-[(1S)-2-hydroxy-1-methyl-ethyl]-6-keto-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenyl-urea::1-[(2R,3S)-2-[[benzyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea::1-[(2R,3S)-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxidanylidene-5-[(2S)-1-oxidanylpropan-2-yl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenyl-urea::1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea::MLS002474461::SMR001398622::cid_44202686

SMILES C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O

InChI Key InChIKey=YGIBVFXPZWEDBG-UHFFFAOYSA-N

Data  1 IC50

  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 = 95850   

TargetMethionine--tRNA ligase(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM95850(SMR001398622 | 1-[(2R,3S)-2-[[benzyl(methyl)amino]...)
Affinity DataIC50: 2.14E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay