BindingDB PrimarySearch

BDBM50184274 2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)propylamino)phenyl)acetic acid::CHEMBL207103

SMILES: CCCc1c(OCCCNc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F

InChI Key: InChIKey=SUSIJEPKDLCOFC-UHFFFAOYSA-N

Data: 11 IC50 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50184274
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
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50184274 (2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity at LXR beta as beta-lactamase transactivation in CHO cells				Bioorg Med Chem Lett 16: 3055-60 (2006) Article DOI: 10.1016/j.bmcl.2006.02.050 BindingDB Entry DOI: 10.7270/Q20V8CD6
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50184274 (2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of LXR beta				Bioorg Med Chem Lett 16: 3055-60 (2006) Article DOI: 10.1016/j.bmcl.2006.02.050 BindingDB Entry DOI: 10.7270/Q20V8CD6
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50184274 (2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity at LXR alpha as beta-lactamase transactivation in CHO cells				Bioorg Med Chem Lett 16: 3055-60 (2006) Article DOI: 10.1016/j.bmcl.2006.02.050 BindingDB Entry DOI: 10.7270/Q20V8CD6
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50184274 (2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PPAR alpha				Bioorg Med Chem Lett 16: 3055-60 (2006) Article DOI: 10.1016/j.bmcl.2006.02.050 BindingDB Entry DOI: 10.7270/Q20V8CD6
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50184274 (2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity at LXR alpha as beta-lactamase transactivation in CHO cells				Bioorg Med Chem Lett 16: 3055-60 (2006) Article DOI: 10.1016/j.bmcl.2006.02.050 BindingDB Entry DOI: 10.7270/Q20V8CD6
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50184274 (2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PPAR delta				Bioorg Med Chem Lett 16: 3055-60 (2006) Article DOI: 10.1016/j.bmcl.2006.02.050 BindingDB Entry DOI: 10.7270/Q20V8CD6
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50184274 (2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Agonist activity at PPARgamma				Bioorg Med Chem 20: 3523-32 (2012) Article DOI: 10.1016/j.bmc.2012.04.005 BindingDB Entry DOI: 10.7270/Q2MP54B4
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50184274 (2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Agonist activity at PPARalpha				Bioorg Med Chem 20: 3523-32 (2012) Article DOI: 10.1016/j.bmc.2012.04.005 BindingDB Entry DOI: 10.7270/Q2MP54B4
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50184274 (2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87.9	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Agonist activity at PPARdelta				Bioorg Med Chem 20: 3523-32 (2012) Article DOI: 10.1016/j.bmc.2012.04.005 BindingDB Entry DOI: 10.7270/Q2MP54B4
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50184274 (2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Agonist activity at PPARalpha				Bioorg Med Chem 20: 3523-32 (2012) Article DOI: 10.1016/j.bmc.2012.04.005 BindingDB Entry DOI: 10.7270/Q2MP54B4
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50184274 (2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Agonist activity at PPARdelta				Bioorg Med Chem 20: 3523-32 (2012) Article DOI: 10.1016/j.bmc.2012.04.005 BindingDB Entry DOI: 10.7270/Q2MP54B4
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50184274 (2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Agonist activity at PPARgamma				Bioorg Med Chem 20: 3523-32 (2012) Article DOI: 10.1016/j.bmc.2012.04.005 BindingDB Entry DOI: 10.7270/Q2MP54B4
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50184274 (2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PPAR gamma				Bioorg Med Chem Lett 16: 3055-60 (2006) Article DOI: 10.1016/j.bmcl.2006.02.050 BindingDB Entry DOI: 10.7270/Q20V8CD6
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair