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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 95462   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bile salt export pump (Homo sapiens (Human))	BDBM95462 ((2E,4E,6E,8E)-10-[[5-methoxy-4-[2-methyl-3-(3-meth...) Show 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 Show InChI InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM95462 ((2E,4E,6E,8E)-10-[[5-methoxy-4-[2-methyl-3-(3-meth...) Show 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 Show InChI InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2639NCQ
					More data for this Ligand-Target Pair