BDBM40383 1-[1-(2-hydroxy-3-indan-5-yloxy-propyl)-3,5-dimethyl-pyrazol-4-yl]ethanone::1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethyl-4-pyrazolyl]ethanone::1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone::1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-oxidanyl-propyl]-3,5-dimethyl-pyrazol-4-yl]ethanone::1-{1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethyl-1H-pyrazol-4-yl}ethanone::MLS000050727::SMR000078224::cid_2962051

SMILES CC(=O)c1c(C)nn(CC(O)COc2ccc3CCCc3c2)c1C

InChI Key InChIKey=JNWKHNANKUHZDT-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 40383   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM40383(1-{1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypr...)
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:
5/6/2011
Entry Details
PCBioAssay