BDBM44221 (2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 2-(4-fluorophenyl)ethanoate::2,6-dimethoxy-4-(4-morpholinylcarbothioyl)phenyl (4-fluorophenyl)acetate::2-(4-fluorophenyl)acetic acid [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] ester::2-(4-fluorophenyl)acetic acid [2,6-dimethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester::MLS000698939::SMR000229209::[2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 2-(4-fluorophenyl)acetate::cid_1229341

SMILES COc1cc(cc(OC)c1OC(=O)Cc1ccc(F)cc1)C(=S)N1CCOCC1

InChI Key InChIKey=PCHGVMDWEVCPJS-UHFFFAOYSA-N

Data  2 EC50

  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 = 44221   

TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 44221BDBM44221(cid_1229341 | 2,6-dimethoxy-4-(4-morpholinylcarbot...)
Affinity DataEC50:  3.24E+3nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 44221BDBM44221(cid_1229341 | 2,6-dimethoxy-4-(4-morpholinylcarbot...)
Affinity DataEC50:  3.98E+3nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/25/2011
Entry Details
PCBioAssay