BDBM45748 (+)-(3R,5R,6S)-6-Benzyloxy-1,1-dimethoxy-heptane-3,5-diol::(3R,5R,6S)-1,1-dimethoxy-6-phenylmethoxy-heptane-3,5-diol::(3R,5R,6S)-1,1-dimethoxy-6-phenylmethoxyheptane-3,5-diol::(3R,5R,6S)-6-benzoxy-1,1-dimethoxy-heptane-3,5-diol::MLS000517646::SMR000462464::cid_16745976

SMILES COC(C[C@H](O)C[C@@H](O)[C@H](C)OCc1ccccc1)OC

InChI Key InChIKey=WFBQEQDZCXOJBE-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 = 45748   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45748BDBM45748(SMR000462464 | (+)-(3R,5R,6S)-6-Benzyloxy-1,1-dime...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay