BDBM114154 MLS003591820::SMR002253116::[(2S)-1-[(4S)-2-[(2R)-heptan-2-yl]-1,1-bis(oxidanylidene)-4-(phenylmethoxymethyl)-3,4-dihydro-5,,2-benzoxathiazepin-7-yl]pyrrolidin-2-yl]methanol::[(2S)-1-[(4S)-2-[(2R)-heptan-2-yl]-1,1-dioxo-4-(phenylmethoxymethyl)-3,4-dihydro-5,,2-benzoxathiazepin-7-yl]-2-pyrrolidinyl]methanol::[(2S)-1-[(4S)-2-[(2R)-heptan-2-yl]-1,1-dioxo-4-(phenylmethoxymethyl)-3,4-dihydro-5,,2-benzoxathiazepin-7-yl]pyrrolidin-2-yl]methanol::[(2S)-1-[(4S)-4-(benzoxymethyl)-1,1-diketo-2-[(1R)-1-methylhexyl]-3,4-dihydro-5,,2-benzoxathiazepin-7-yl]pyrrolidin-2-yl]methanol::cid_53301585

SMILES CCCCC[C@@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(ccc2S1(=O)=O)N1CCC[C@H]1CO

InChI Key InChIKey=RKYZJKLNTURKTQ-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 114154   

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

Curated by PubChem BioAssay
LigandPNGBDBM114154(MLS003591820 | [(2S)-1-[(4S)-2-[(2R)-heptan-2-yl]-...)
Affinity DataIC50: 9.07E+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
LigandPNGBDBM114154(MLS003591820 | [(2S)-1-[(4S)-2-[(2R)-heptan-2-yl]-...)
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