BDBM43401 2-[4-(3,4-Dimethoxy-phenyl)-6-trifluoromethyl-pyrimidin-2-ylsulfanyl]-N-(1,5-dimethyl-1H-pyrazol-4-ylmethyl)-acetamide::2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide::2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamide::2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-[(1,5-dimethyl-4-pyrazolyl)methyl]acetamide::2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide::MLS000568783::SMR000178066::cid_1166124

SMILES COc1ccc(cc1OC)-c1cc(nc(SCC(=O)NCc2cnn(C)c2C)n1)C(F)(F)F

InChI Key InChIKey=HFYQYAYEPLAOHZ-UHFFFAOYSA-N

Data  1 EC50

  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 = 43401   

LigandChemical structure of BindingDB Monomer ID 43401BDBM43401(2-[4-(3,4-Dimethoxy-phenyl)-6-trifluoromethyl-pyri...)
Affinity DataEC50:  1.63E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay