BDBM45694 2-[(4-hydroxyphenyl)-[4-(4-methoxyphenyl)-2,6-bis(oxidanylidene)cyclohexyl]methyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione::2-[(4-hydroxyphenyl)-[4-(4-methoxyphenyl)-2,6-dioxocyclohexyl]methyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione::2-[[2,6-diketo-4-(4-methoxyphenyl)cyclohexyl]-(4-hydroxyphenyl)methyl]-5-(4-methoxyphenyl)cyclohexane-1,3-quinone::MLS000777723::SMR000414148::cid_3776932

SMILES COc1ccc(C2CC(=O)C(C(c3ccc(O)cc3)C3C(=O)CC(c4ccc(OC)cc4)CC3=O)C(=O)C2)cc1

InChI Key InChIKey=HOGUCNPGZXMBGW-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 = 45694   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45694BDBM45694(cid_3776932 | SMR000414148 | 2-[(4-hydroxyphenyl)-...)
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:
6/8/2011
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45694BDBM45694(cid_3776932 | SMR000414148 | 2-[(4-hydroxyphenyl)-...)
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