BDBM50323541 3-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)methoxy)benzoic acid::CHEMBL1209293

SMILES: OC(=O)c1cccc(OCc2ccc(OCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)nc2C(F)(F)F)c1

InChI Key: InChIKey=IFROONJBMYIHFK-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 = 50323541   

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))	BDBM50323541 (3-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxaz...) Show SMILES OC(=O)c1cccc(OCc2ccc(OCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)nc2C(F)(F)F)c1 |(-9.62,-34.92,;-8.29,-34.14,;-8.29,-32.6,;-6.96,-34.91,;-6.96,-36.46,;-5.62,-37.23,;-4.29,-36.46,;-4.29,-34.91,;-2.96,-34.13,;-1.62,-34.9,;-.29,-34.12,;-.31,-32.59,;1.02,-31.81,;2.36,-32.58,;3.7,-31.8,;5.04,-32.57,;6.36,-31.8,;7.62,-32.71,;8.87,-31.79,;8.39,-30.33,;6.83,-30.33,;5.92,-29.1,;5.75,-27.56,;4.51,-28.47,;7.63,-34.24,;8.96,-35,;10.29,-34.22,;8.97,-36.54,;7.64,-37.32,;6.3,-36.55,;6.29,-35.02,;4.96,-34.25,;2.37,-34.12,;1.04,-34.89,;1.04,-36.43,;-.29,-37.21,;2.38,-37.2,;1.03,-37.97,;-5.63,-34.14,)| Show InChI InChI=1S/C27H19Cl2F3N2O5/c28-19-5-2-6-20(29)22(19)23-18(24(39-34-23)14-7-8-14)13-38-21-10-9-16(25(33-21)27(30,31)32)12-37-17-4-1-3-15(11-17)26(35)36/h1-6,9-11,14H,7-8,12-13H2,(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	33	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))	BDBM50323541 (3-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxaz...) Show SMILES OC(=O)c1cccc(OCc2ccc(OCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)nc2C(F)(F)F)c1 |(-9.62,-34.92,;-8.29,-34.14,;-8.29,-32.6,;-6.96,-34.91,;-6.96,-36.46,;-5.62,-37.23,;-4.29,-36.46,;-4.29,-34.91,;-2.96,-34.13,;-1.62,-34.9,;-.29,-34.12,;-.31,-32.59,;1.02,-31.81,;2.36,-32.58,;3.7,-31.8,;5.04,-32.57,;6.36,-31.8,;7.62,-32.71,;8.87,-31.79,;8.39,-30.33,;6.83,-30.33,;5.92,-29.1,;5.75,-27.56,;4.51,-28.47,;7.63,-34.24,;8.96,-35,;10.29,-34.22,;8.97,-36.54,;7.64,-37.32,;6.3,-36.55,;6.29,-35.02,;4.96,-34.25,;2.37,-34.12,;1.04,-34.89,;1.04,-36.43,;-.29,-37.21,;2.38,-37.2,;1.03,-37.97,;-5.63,-34.14,)| Show InChI InChI=1S/C27H19Cl2F3N2O5/c28-19-5-2-6-20(29)22(19)23-18(24(39-34-23)14-7-8-14)13-38-21-10-9-16(25(33-21)27(30,31)32)12-37-17-4-1-3-15(11-17)26(35)36/h1-6,9-11,14H,7-8,12-13H2,(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	151	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))	BDBM50323541 (3-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxaz...) Show SMILES OC(=O)c1cccc(OCc2ccc(OCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)nc2C(F)(F)F)c1 |(-9.62,-34.92,;-8.29,-34.14,;-8.29,-32.6,;-6.96,-34.91,;-6.96,-36.46,;-5.62,-37.23,;-4.29,-36.46,;-4.29,-34.91,;-2.96,-34.13,;-1.62,-34.9,;-.29,-34.12,;-.31,-32.59,;1.02,-31.81,;2.36,-32.58,;3.7,-31.8,;5.04,-32.57,;6.36,-31.8,;7.62,-32.71,;8.87,-31.79,;8.39,-30.33,;6.83,-30.33,;5.92,-29.1,;5.75,-27.56,;4.51,-28.47,;7.63,-34.24,;8.96,-35,;10.29,-34.22,;8.97,-36.54,;7.64,-37.32,;6.3,-36.55,;6.29,-35.02,;4.96,-34.25,;2.37,-34.12,;1.04,-34.89,;1.04,-36.43,;-.29,-37.21,;2.38,-37.2,;1.03,-37.97,;-5.63,-34.14,)| Show InChI InChI=1S/C27H19Cl2F3N2O5/c28-19-5-2-6-20(29)22(19)23-18(24(39-34-23)14-7-8-14)13-38-21-10-9-16(25(33-21)27(30,31)32)12-37-17-4-1-3-15(11-17)26(35)36/h1-6,9-11,14H,7-8,12-13H2,(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	43	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