BindingDB PrimarySearch

BDBM50242349 (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic acid::(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid::(all-Z)-5,8,11,14,17-eicosapentaenoic acid::5,8,11,14,17-EICOSAPENTAENOIC ACID::5Z,8Z,11Z,14Z,17Z-eicosapentaenoic acid::CHEMBL460026::EPA::ICOSAPENT ETHYL::Icosapent::Timnodonic acid::all-cis-icosa-5,8,11,14,17-pentaenoic acid::cis-5,8,11,14,17-eicosapentaenoic acid::cis-Delta(5,8,11,14,17)-eicosapentaenoic acid::omega-3-Eicosapentaenoic Acid::vascepa

SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O

InChI Key: InChIKey=JAZBEHYOTPTENJ-JLNKQSITSA-N

Data: 3 KI 10 IC50 1 Kd

PDB links: 6 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50242349
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
TG 1019 (Homo sapiens (Human))	BDBM50242349 ((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by PDSP K_i Database									J Biol Chem 277: 31459-65 (2002) Article DOI: 10.1074/jbc.M203194200 BindingDB Entry DOI: 10.7270/Q2Z036QB
Tanabe Seiyaku Co. Ltd. Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma (Homo sapiens (Human))	BDBM50242349 ((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay				J Med Chem 62: 8809-8818 (2019) Article DOI: 10.1021/acs.jmedchem.9b00995
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma (Homo sapiens (Human))	BDBM50242349 ((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay				J Med Chem 62: 8809-8818 (2019) Article DOI: 10.1021/acs.jmedchem.9b00995
					More data for this Ligand-Target Pair
Cyclooxygenase (Bos taurus)	BDBM50242349 ((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid				J Nat Prod 64: 745-9 (2001) BindingDB Entry DOI: 10.7270/Q24J0DVJ
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50242349 ((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes by radiometric method				J Nat Prod 69: 700-3 (2006) Article DOI: 10.1021/np050513p BindingDB Entry DOI: 10.7270/Q2J96647
University of Illinois at Chicago Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50242349 ((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Universit£ Lille-Nord de France Curated by ChEMBL					Assay Description Binding affinity to PPARgamma				J Med Chem 55: 4027-61 (2012) Article DOI: 10.1021/jm101360s BindingDB Entry DOI: 10.7270/Q2ST7QW1
Universit£ Lille-Nord de France Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50242349 ((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assay				Citation and Details Article DOI: 10.1007/s00044-012-0285-6 BindingDB Entry DOI: 10.7270/Q2MG7SDK
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50242349 ((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay				Citation and Details Article DOI: 10.1007/s00044-012-0285-6 BindingDB Entry DOI: 10.7270/Q2MG7SDK
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50242349 ((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay				Citation and Details Article DOI: 10.1007/s00044-012-0285-6 BindingDB Entry DOI: 10.7270/Q2MG7SDK
TBA					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50242349 ((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PPAR-alpha (unknown origin) by SPA assay				Citation and Details Article DOI: 10.1007/s00044-008-9102-7 BindingDB Entry DOI: 10.7270/Q2K35XJ5
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2) (Ovis aries (Sheep))	BDBM50242349 ((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid				J Nat Prod 64: 745-9 (2001) BindingDB Entry DOI: 10.7270/Q24J0DVJ
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor VII/tissue factor (Homo sapiens (Human))	BDBM50242349 ((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Inhibition of amidolytic activity of human tissue factor/human factor 7a				J Nat Prod 61: 1352-5 (1999) Article DOI: 10.1021/np980117p BindingDB Entry DOI: 10.7270/Q2SF2VXF
Searle Discovery Research Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin (Sus scrofa)	BDBM50242349 ((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Inhibition of pig pancreatic trypsin after 15 mins				J Nat Prod 61: 1352-5 (1999) Article DOI: 10.1021/np980117p BindingDB Entry DOI: 10.7270/Q2SF2VXF
Searle Discovery Research Curated by ChEMBL					More data for this Ligand-Target Pair
TG 1019 (Homo sapiens (Human))	BDBM50242349 ((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Antagonist activity at human OXE receptor fused with G-alphai assessed as inhibition of 5-oxo-ETE-induced GTPgammaS binding after 60 mins by liquid s...				J Med Chem 57: 364-77 (2014) Article DOI: 10.1021/jm401292m BindingDB Entry DOI: 10.7270/Q2N87C82
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair