BDBM50297880 (S)-2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthio)hexanoic acid::CHEMBL551480

SMILES: CCCC[C@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O

InChI Key: InChIKey=SPSCEYHKPUTWNP-QFIPXVFZSA-N

Data: 3 IC50  2 EC50

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 5 hits for monomerid = 50297880   

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
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50297880 ((S)-2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthi...) Show SMILES CCCC[C@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C23H30O4S/c1-4-5-10-22(23(24)25)28-20-13-11-19(12-14-20)26-15-7-16-27-21-9-6-8-17(2)18(21)3/h6,8-9,11-14,22H,4-5,7,10,15-16H2,1-3H3,(H,24,25)/t22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha expressed in african green monkey COS7 cells by Gal4 transactivation assay				Bioorg Med Chem Lett 19: 4421-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.057 BindingDB Entry DOI: 10.7270/Q2G160W7
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50297880 ((S)-2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthi...) Show SMILES CCCC[C@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C23H30O4S/c1-4-5-10-22(23(24)25)28-20-13-11-19(12-14-20)26-15-7-16-27-21-9-6-8-17(2)18(21)3/h6,8-9,11-14,22H,4-5,7,10,15-16H2,1-3H3,(H,24,25)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma expressed in african green monkey COS7 cells by Gal4 transactivation assay				Bioorg Med Chem Lett 19: 4421-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.057 BindingDB Entry DOI: 10.7270/Q2G160W7
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50297880 ((S)-2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthi...) Show SMILES CCCC[C@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C23H30O4S/c1-4-5-10-22(23(24)25)28-20-13-11-19(12-14-20)26-15-7-16-27-21-9-6-8-17(2)18(21)3/h6,8-9,11-14,22H,4-5,7,10,15-16H2,1-3H3,(H,24,25)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50297880 ((S)-2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthi...) Show SMILES CCCC[C@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C23H30O4S/c1-4-5-10-22(23(24)25)28-20-13-11-19(12-14-20)26-15-7-16-27-21-9-6-8-17(2)18(21)3/h6,8-9,11-14,22H,4-5,7,10,15-16H2,1-3H3,(H,24,25)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50297880 ((S)-2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthi...) Show SMILES CCCC[C@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C23H30O4S/c1-4-5-10-22(23(24)25)28-20-13-11-19(12-14-20)26-15-7-16-27-21-9-6-8-17(2)18(21)3/h6,8-9,11-14,22H,4-5,7,10,15-16H2,1-3H3,(H,24,25)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair