BDBM50323540 2-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)methoxy)benzoic acid::CHEMBL1209292

SMILES: OC(=O)c1ccccc1OCc1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)nc1C(F)(F)F

InChI Key: InChIKey=IVCFYXJDUZMMKD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50323540   

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
Bile acid receptor (Homo sapiens (Human))	BDBM50323540 (2-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxaz...) Show SMILES OC(=O)c1ccccc1OCc1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)nc1C(F)(F)F |(13.66,-21.28,;14.99,-22.05,;16.33,-21.28,;15,-23.59,;13.67,-24.36,;13.67,-25.9,;15,-26.68,;16.34,-25.9,;16.33,-24.35,;17.67,-23.58,;19,-24.34,;20.33,-23.57,;20.32,-22.04,;21.65,-21.26,;22.99,-22.02,;24.33,-21.25,;25.66,-22.02,;26.99,-21.25,;28.25,-22.15,;29.5,-21.24,;29.01,-19.77,;27.46,-19.78,;26.55,-18.54,;26.38,-17.01,;25.14,-17.92,;28.25,-23.69,;29.59,-24.45,;30.91,-23.67,;29.6,-25.98,;28.26,-26.77,;26.92,-26,;26.92,-24.46,;25.58,-23.7,;23,-23.57,;21.67,-24.34,;21.67,-25.88,;20.34,-26.65,;23,-26.65,;21.65,-27.42,)| Show InChI InChI=1S/C27H19Cl2F3N2O5/c28-18-5-3-6-19(29)22(18)23-17(24(39-34-23)14-8-9-14)13-38-21-11-10-15(25(33-21)27(30,31)32)12-37-20-7-2-1-4-16(20)26(35)36/h1-7,10-11,14H,8-9,12-13H2,(H,35,36)	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	611	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...				Bioorg Med Chem Lett 20: 4911-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.084 BindingDB Entry DOI: 10.7270/Q21V5F52
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50323540 (2-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxaz...) Show SMILES OC(=O)c1ccccc1OCc1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)nc1C(F)(F)F |(13.66,-21.28,;14.99,-22.05,;16.33,-21.28,;15,-23.59,;13.67,-24.36,;13.67,-25.9,;15,-26.68,;16.34,-25.9,;16.33,-24.35,;17.67,-23.58,;19,-24.34,;20.33,-23.57,;20.32,-22.04,;21.65,-21.26,;22.99,-22.02,;24.33,-21.25,;25.66,-22.02,;26.99,-21.25,;28.25,-22.15,;29.5,-21.24,;29.01,-19.77,;27.46,-19.78,;26.55,-18.54,;26.38,-17.01,;25.14,-17.92,;28.25,-23.69,;29.59,-24.45,;30.91,-23.67,;29.6,-25.98,;28.26,-26.77,;26.92,-26,;26.92,-24.46,;25.58,-23.7,;23,-23.57,;21.67,-24.34,;21.67,-25.88,;20.34,-26.65,;23,-26.65,;21.65,-27.42,)| Show InChI InChI=1S/C27H19Cl2F3N2O5/c28-18-5-3-6-19(29)22(18)23-17(24(39-34-23)14-8-9-14)13-38-21-11-10-15(25(33-21)27(30,31)32)12-37-20-7-2-1-4-16(20)26(35)36/h1-7,10-11,14H,8-9,12-13H2,(H,35,36)	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	1.71E+3	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay				Bioorg Med Chem Lett 20: 4911-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.084 BindingDB Entry DOI: 10.7270/Q21V5F52
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50323540 (2-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxaz...) Show SMILES OC(=O)c1ccccc1OCc1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)nc1C(F)(F)F |(13.66,-21.28,;14.99,-22.05,;16.33,-21.28,;15,-23.59,;13.67,-24.36,;13.67,-25.9,;15,-26.68,;16.34,-25.9,;16.33,-24.35,;17.67,-23.58,;19,-24.34,;20.33,-23.57,;20.32,-22.04,;21.65,-21.26,;22.99,-22.02,;24.33,-21.25,;25.66,-22.02,;26.99,-21.25,;28.25,-22.15,;29.5,-21.24,;29.01,-19.77,;27.46,-19.78,;26.55,-18.54,;26.38,-17.01,;25.14,-17.92,;28.25,-23.69,;29.59,-24.45,;30.91,-23.67,;29.6,-25.98,;28.26,-26.77,;26.92,-26,;26.92,-24.46,;25.58,-23.7,;23,-23.57,;21.67,-24.34,;21.67,-25.88,;20.34,-26.65,;23,-26.65,;21.65,-27.42,)| Show InChI InChI=1S/C27H19Cl2F3N2O5/c28-18-5-3-6-19(29)22(18)23-17(24(39-34-23)14-8-9-14)13-38-21-11-10-15(25(33-21)27(30,31)32)12-37-20-7-2-1-4-16(20)26(35)36/h1-7,10-11,14H,8-9,12-13H2,(H,35,36)	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	434	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay				Bioorg Med Chem Lett 20: 4911-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.084 BindingDB Entry DOI: 10.7270/Q21V5F52
					More data for this Ligand-Target Pair