BindingDB PrimarySearch

BDBM50303448 Beta-elemonic acid::CHEMBL566929

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6@@H](-[#6@H]1-[#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@H]1-[#6]-[#6]-3)-[#6](-[#8])=O

InChI Key: InChIKey=XLPAINGDLCDYQV-DXXDIINSSA-N

Data: 4 IC50 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50303448
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
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50303448 (Beta-elemonic acid \| CHEMBL566929) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tuebingen Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by HPLC an...				J Nat Prod 77: 1445-51 (2014) Article DOI: 10.1021/np500198g BindingDB Entry DOI: 10.7270/Q23X887B
University of Tuebingen Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50303448 (Beta-elemonic acid \| CHEMBL566929) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 min...				J Nat Prod 77: 1445-51 (2014) Article DOI: 10.1021/np500198g BindingDB Entry DOI: 10.7270/Q23X887B
University of Tuebingen Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50303448 (Beta-elemonic acid \| CHEMBL566929) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Universite Louis Pasteur Curated by ChEMBL					Assay Description Agonist activity at TGR5 expressed in CHO cells by CRE-driven luciferase reporter gene assay				J Med Chem 53: 178-90 (2010) Article DOI: 10.1021/jm900872z BindingDB Entry DOI: 10.7270/Q2RJ4KDW
Universite Louis Pasteur Curated by ChEMBL					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50303448 (Beta-elemonic acid \| CHEMBL566929) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of prolyl endopeptidase				J Nat Prod 68: 189-93 (2005) Article DOI: 10.1021/np040142x BindingDB Entry DOI: 10.7270/Q22V2H18
University of Karachi Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50303448 (Beta-elemonic acid \| CHEMBL566929) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Tuebingen Curated by ChEMBL					Assay Description Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...				J Nat Prod 77: 1445-51 (2014) Article DOI: 10.1021/np500198g BindingDB Entry DOI: 10.7270/Q23X887B
University of Tuebingen Curated by ChEMBL					More data for this Ligand-Target Pair