BDBM113969 (4S)-1-[(1S)-1-benzyl-2-[(2R)-2-[[(5S)-5-(4-hydroxybenzyl)-2-thioxo-imidazolidin-1-yl]methyl]pyrrolidino]ethyl]-4-(4-hydroxybenzyl)-3-phenethyl-imidazolidine-2-thione::(4S)-4-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-[(2R)-2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1-imidazolidinyl]methyl]-1-pyrrolidinyl]-3-phenylpropan-2-yl]-3-(2-phenylethyl)-2-imidazolidinethione::(4S)-4-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-[(2R)-2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-imidazolidin-1-yl]methyl]pyrrolidin-1-yl]-3-phenyl-propan-2-yl]-3-(2-phenylethyl)imidazolidine-2-thione::(4S)-4-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-[(2R)-2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-2-yl]-3-(2-phenylethyl)imidazolidine-2-thione::MLS003177417::SMR001881196::cid_51359484

SMILES Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C2=S)cc1

InChI Key InChIKey=HJLIQEBRJUVETG-UHFFFAOYSA-N

Data  2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 113969   

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

Curated by PubChem BioAssay
LigandPNGBDBM113969(SMR001881196 | MLS003177417 | (4S)-4-[(4-hydroxyph...)
Affinity DataIC50: 1.51E+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
TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM113969(SMR001881196 | MLS003177417 | (4S)-4-[(4-hydroxyph...)
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