BDBM50184260 2-(3-chloro-4-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)propyl)amino)phenyl)acetic acid::CHEMBL383646

SMILES: CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F

InChI Key: InChIKey=GADXIGHAARSCIO-UHFFFAOYSA-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 = 50184260   

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
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50184260 (2-(3-chloro-4-(methyl(3-(7-propyl-3-(trifluorometh...) Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C23H24ClF3N2O4/c1-3-5-15-19(9-7-16-21(15)33-28-22(16)23(25,26)27)32-11-4-10-29(2)18-8-6-14(12-17(18)24)13-20(30)31/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50184260 (2-(3-chloro-4-(methyl(3-(7-propyl-3-(trifluorometh...) Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C23H24ClF3N2O4/c1-3-5-15-19(9-7-16-21(15)33-28-22(16)23(25,26)27)32-11-4-10-29(2)18-8-6-14(12-17(18)24)13-20(30)31/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	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
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50184260 (2-(3-chloro-4-(methyl(3-(7-propyl-3-(trifluorometh...) Show SMILES CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C23H24ClF3N2O4/c1-3-5-15-19(9-7-16-21(15)33-28-22(16)23(25,26)27)32-11-4-10-29(2)18-8-6-14(12-17(18)24)13-20(30)31/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	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
					More data for this Ligand-Target Pair				3D Structure (docked)