BDBM45615 5-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide::5-[(2-chloro-4-fluoro-phenoxy)methyl]-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]isoxazole-3-carboxamide::5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]isoxazole-3-carboxamide::5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-isoxazolecarboxamide::5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide::MLS000773054::SMR000318701::cid_16190493

SMILES CCn1nc(C)c(CNC(=O)c2cc(COc3ccc(F)cc3Cl)on2)c1C

InChI Key InChIKey=NZGMCNNTJNEOHA-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 = 45615   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM45615(5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-ethyl-3...)
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