BDBM45320 2-(3,4-dimethoxyphenyl)-3-ethanoyl-4-oxidanyl-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one::3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one::3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-thiazolyl)-2H-pyrrol-5-one::4-acetyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-thiazol-2-yl-3-pyrrolin-2-one::MLS000036518::SMR000037668::cid_660560

SMILES COc1ccc(cc1OC)C1C(C(C)=O)C(=O)C(=O)N1c1nccs1

InChI Key InChIKey=AOBWYIJNNZTAQF-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 = 45320   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45320BDBM45320(MLS000036518 | SMR000037668 | 2-(3,4-dimethoxyphen...)
Affinity DataIC50: 2.60E+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 45320BDBM45320(MLS000036518 | SMR000037668 | 2-(3,4-dimethoxyphen...)
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