BDBM40352 (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-chlorophenyl)acetate::(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-chlorophenyl)ethanoate::2-(4-chlorophenyl)acetic acid (3,5-dimethyl-4-isoxazolyl)methyl ester::2-(4-chlorophenyl)acetic acid (3,5-dimethylisoxazol-4-yl)methyl ester::MLS000048478::SMR000062833::cid_2433558

SMILES Cc1noc(C)c1COC(=O)Cc1ccc(Cl)cc1

InChI Key InChIKey=XCLSPNCGCOYKEW-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 40352   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 40352BDBM40352(cid_2433558 | SMR000062833 | 2-(4-chlorophenyl)ace...)
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