BDBM33477 (2S)-2-[(1-methyl-3-phenyl-propyl)carbamoylamino]propionic acid methyl ester::(2S)-2-[[oxo-(4-phenylbutan-2-ylamino)methyl]amino]propanoic acid methyl ester::(S)-2-[3-(1-Methyl-3-phenyl-propyl)-ureido]-propionic acid methyl ester::MLS000559568::SMR000149684::cid_9551838::methyl (2S)-2-(4-phenylbutan-2-ylcarbamoylamino)propanoate

SMILES COC(=O)[C@H](C)NC(=O)NC(C)CCc1ccccc1

InChI Key InChIKey=JVANZOQBPDRQRF-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 33477   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 33477BDBM33477(MLS000559568 | (S)-2-[3-(1-Methyl-3-phenyl-propyl)...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp...More data for this Ligand-Target Pair
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Date in BDB:
11/9/2009
Entry Details
PCBioAssay