BDBM113974 (3S)-1-[(4S)-2-[(2S)-heptan-2-yl]-1,1-bis(oxidanylidene)-4-(phenylmethoxymethyl)-3,4-dihydro-5,,2-benzoxathiazepin-7-yl]pyrrolidin-3-ol::(3S)-1-[(4S)-2-[(2S)-heptan-2-yl]-1,1-dioxo-4-(phenylmethoxymethyl)-3,4-dihydro-5,,2-benzoxathiazepin-7-yl]-3-pyrrolidinol::(3S)-1-[(4S)-2-[(2S)-heptan-2-yl]-1,1-dioxo-4-(phenylmethoxymethyl)-3,4-dihydro-5,,2-benzoxathiazepin-7-yl]pyrrolidin-3-ol::(3S)-1-[(4S)-4-(benzoxymethyl)-1,1-diketo-2-[(1S)-1-methylhexyl]-3,4-dihydro-5,,2-benzoxathiazepin-7-yl]pyrrolidin-3-ol::MLS003591782::SMR002253078::cid_53301546

SMILES CCCCC[C@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(ccc2S1(=O)=O)N1CC[C@H](O)C1

InChI Key InChIKey=JWQCWWBNCKQWMW-TUSQITKMSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 113974   

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

Curated by PubChem BioAssay
LigandPNGBDBM113974((3S)-1-[(4S)-2-[(2S)-heptan-2-yl]-1,1-bis(oxidanyl...)
Affinity DataIC50:  8.14E+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 DepthDetails PCBioAssay
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM113974((3S)-1-[(4S)-2-[(2S)-heptan-2-yl]-1,1-bis(oxidanyl...)
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 DepthDetails PCBioAssay