BDBM113931 (2R)-2-(4-fluorobenzyl)hex-5-enoic acid [(2S)-2-[[(2R)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-keto-ethyl]pent-4-enoyl]amino]-3-(1H-indol-3-yl)propyl] ester::(2R)-2-[(4-fluorophenyl)methyl]-5-hexenoic acid [(2S)-2-[[(2R)-2-[2-[2-hydroxyethyl-(phenylmethyl)amino]-2-oxoethyl]-1-oxopent-4-enyl]amino]-3-(1H-indol-3-yl)propyl] ester::MLS002320303::SMR001337928::[(2S)-2-[[(2R)-2-[2-[2-hydroxyethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]pent-4-enoyl]amino]-3-(1H-indol-3-yl)propyl] (2R)-2-[(4-fluorophenyl)methyl]hex-5-enoate::[(2S)-2-[[(2R)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]pent-4-enoyl]amino]-3-(1H-indol-3-yl)propyl] (2R)-2-[(4-fluorophenyl)methyl]hex-5-enoate::cid_44201804

SMILES OCCN(Cc1ccccc1)C(=O)C[C@@H](CC=C)C(=O)N[C@H](COC(=O)[C@H](CCC=C)Cc1ccc(F)cc1)Cc1c[nH]c2ccccc12

InChI Key InChIKey=PVEHXQZUOGFZJL-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 = 113931   

TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM113931(cid_44201804 | MLS002320303 | [(2S)-2-[[(2R)-2-[2-...)
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
TargetDisintegrin and metalloproteinase domain-containing protein 10(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM113931(cid_44201804 | MLS002320303 | [(2S)-2-[[(2R)-2-[2-...)
Affinity DataIC50: 6.93E+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