BDBM114124 1-(4-methoxyphenyl)-3-[(2S,3R)-3-methyl-2-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]-6-oxidanylidene-5-[(2S)-1-oxidanylpropan-2-yl]-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea::1-[(2S,3R)-5-[(1S)-2-hydroxy-1-methyl-ethyl]-6-keto-3-methyl-2-[[methyl(2-thienylsulfonyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea::1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea::MLS002474477::SMR001398638::cid_44202702

SMILES COc1ccc(NC(=O)Nc2ccc3O[C@H](CN(C)S(=O)(=O)c4cccs4)[C@H](C)CN([C@@H](C)CO)C(=O)c3c2)cc1

InChI Key InChIKey=MEYAITLLUVMHFV-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 114124   

TargetDisintegrin and metalloproteinase domain-containing protein 10(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM114124(1-(4-methoxyphenyl)-3-[(2S,3R)-3-methyl-2-[[methyl...)
Affinity DataIC50: 7.72E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2014
Entry Details
PCBioAssay
TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM114124(1-(4-methoxyphenyl)-3-[(2S,3R)-3-methyl-2-[[methyl...)
Affinity DataIC50: 6.95E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2014
Entry Details
PCBioAssay