BDBM94574 MLS002699028::SMR001563150::[(1R,2S,4E,8Z,12S,13S)-12-hydroxy-4,8,12-trimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] acetate::[(1R,2S,4E,8Z,12S,13S)-4,8,12-trimethyl-16-methylidene-12-oxidanyl-15-oxidanylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] ethanoate::acetic acid [(1R,2S,4E,8Z,12S,13S)-12-hydroxy-15-keto-4,8,12-trimethyl-16-methylene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] ester::acetic acid [(1R,2S,4E,8Z,12S,13S)-12-hydroxy-4,8,12-trimethyl-16-methylene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] ester::cid_44825950

SMILES: CC(=O)O[C@H]1C\C(C)=C\CC\C(C)=C/CC[C@](C)(O)[C@@H]2C[C@@H]1C(=C)C(=O)O2

InChI Key: InChIKey=WMGWWFHPPNGBBT-ACXOONDBSA-N

Data: 3 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 3 hits for monomerid = 94574   

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
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human))	BDBM94574 (MLS002699028 | SMR001563150 | [(1R,2S,4E,8Z,12S,13...) Show SMILES CC(=O)O[C@H]1C\C(C)=C\CC\C(C)=C/CC[C@](C)(O)[C@@H]2C[C@@H]1C(=C)C(=O)O2 |c:12,t:7| Show InChI InChI=1S/C22H32O5/c1-14-8-6-9-15(2)12-19(26-17(4)23)18-13-20(27-21(24)16(18)3)22(5,25)11-7-10-14/h9-10,18-20,25H,3,6-8,11-13H2,1-2,4-5H3/b14-10-,15-9+/t18-,19+,20+,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.21E+3	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 (2012) BindingDB Entry DOI: 10.7270/Q2736PH3
					More data for this Ligand-Target Pair
perilipin-5 (Homo sapiens (Human))	BDBM94574 (MLS002699028 | SMR001563150 | [(1R,2S,4E,8Z,12S,13...) Show SMILES CC(=O)O[C@H]1C\C(C)=C\CC\C(C)=C/CC[C@](C)(O)[C@@H]2C[C@@H]1C(=C)C(=O)O2 |c:12,t:7| Show InChI InChI=1S/C22H32O5/c1-14-8-6-9-15(2)12-19(26-17(4)23)18-13-20(27-21(24)16(18)3)22(5,25)11-7-10-14/h9-10,18-20,25H,3,6-8,11-13H2,1-2,4-5H3/b14-10-,15-9+/t18-,19+,20+,22+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.91E+3	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 (2012) BindingDB Entry DOI: 10.7270/Q24B2ZW9
					More data for this Ligand-Target Pair
perilipin-1 (Homo sapiens (Human))	BDBM94574 (MLS002699028 | SMR001563150 | [(1R,2S,4E,8Z,12S,13...) Show SMILES CC(=O)O[C@H]1C\C(C)=C\CC\C(C)=C/CC[C@](C)(O)[C@@H]2C[C@@H]1C(=C)C(=O)O2 |c:12,t:7| Show InChI InChI=1S/C22H32O5/c1-14-8-6-9-15(2)12-19(26-17(4)23)18-13-20(27-21(24)16(18)3)22(5,25)11-7-10-14/h9-10,18-20,25H,3,6-8,11-13H2,1-2,4-5H3/b14-10-,15-9+/t18-,19+,20+,22+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.87E+3	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 (2012) BindingDB Entry DOI: 10.7270/Q2CV4GBF
					More data for this Ligand-Target Pair