BDBM95462 (2E,4E,6E,8E)-10-[[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid;N-phenylaniline::(2E,4E,6E,8E)-10-[[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxidanylidene-deca-2,4,6,8-tetraenoic acid;N-phenylaniline::(2E,4E,6E,8E)-10-[[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid;N-phenylaniline::MLS002702991::SMR001566800::cid_45281154::diphenylamine;(2E,4E,6E,8E)-10-keto-10-[[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]deca-2,4,6,8-tetraenoic acid

SMILES [#6]-[#8]-[#6]-1-[#6](-[#6]-[#6]C2([#6]-[#8]2)[#6]-1C1([#6])[#8]-[#6]1-[#6]\[#6]=[#6](\[#6])-[#6])-[#8]-[#6](=O)\[#6]=[#6]\[#6]=[#6]\[#6]=[#6]\[#6]=[#6]\[#6](-[#8])=O

InChI Key InChIKey=NGGMYCMLYOUNGM-HCNIIHBUSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 95462   

TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM95462((2E,4E,6E,8E)-10-[[5-methoxy-4-[2-methyl-3-(3-meth...)
Affinity DataIC50:  2.56E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitochondrial peptide methionine sulfoxide reductase(Bos taurus)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM95462((2E,4E,6E,8E)-10-[[5-methoxy-4-[2-methyl-3-(3-meth...)
Affinity DataIC50:  9.45E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay