BDBM50323526 3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)benzoic acid::CHEMBL1209111

SMILES: CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=QMDHQKPDJIDFEV-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 = 50323526   

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))	BDBM50323526 (3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...) Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(27.52,7.37,;26.9,5.96,;25.37,5.79,;27.81,4.72,;29.36,4.72,;29.85,3.25,;28.6,2.34,;27.34,3.24,;26.01,2.48,;24.68,3.24,;23.34,2.47,;22,3.23,;20.67,2.45,;20.68,.92,;19.35,.15,;19.36,-1.39,;18.02,.91,;16.68,.14,;15.35,.9,;14.02,.13,;14.02,-1.41,;15.35,-2.18,;16.69,-1.41,;15.35,-3.72,;14.02,-4.49,;16.69,-4.49,;22.02,.15,;23.35,.93,;22.02,-1.39,;20.69,-2.16,;23.35,-2.16,;22,-2.92,;28.6,.81,;29.94,.05,;31.26,.83,;29.95,-1.49,;28.61,-2.27,;27.27,-1.51,;27.27,.03,;25.93,.8,)| Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)8-5-9-20(23)30)14-39-22-11-10-21(26(34-22)28(31,32)33)36(3)13-16-6-4-7-17(12-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)	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	12	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
Bile acid receptor (Homo sapiens (Human))	BDBM50323526 (3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...) Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(27.52,7.37,;26.9,5.96,;25.37,5.79,;27.81,4.72,;29.36,4.72,;29.85,3.25,;28.6,2.34,;27.34,3.24,;26.01,2.48,;24.68,3.24,;23.34,2.47,;22,3.23,;20.67,2.45,;20.68,.92,;19.35,.15,;19.36,-1.39,;18.02,.91,;16.68,.14,;15.35,.9,;14.02,.13,;14.02,-1.41,;15.35,-2.18,;16.69,-1.41,;15.35,-3.72,;14.02,-4.49,;16.69,-4.49,;22.02,.15,;23.35,.93,;22.02,-1.39,;20.69,-2.16,;23.35,-2.16,;22,-2.92,;28.6,.81,;29.94,.05,;31.26,.83,;29.95,-1.49,;28.61,-2.27,;27.27,-1.51,;27.27,.03,;25.93,.8,)| Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)8-5-9-20(23)30)14-39-22-11-10-21(26(34-22)28(31,32)33)36(3)13-16-6-4-7-17(12-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)	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	6	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))	BDBM50323526 (3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...) Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(27.52,7.37,;26.9,5.96,;25.37,5.79,;27.81,4.72,;29.36,4.72,;29.85,3.25,;28.6,2.34,;27.34,3.24,;26.01,2.48,;24.68,3.24,;23.34,2.47,;22,3.23,;20.67,2.45,;20.68,.92,;19.35,.15,;19.36,-1.39,;18.02,.91,;16.68,.14,;15.35,.9,;14.02,.13,;14.02,-1.41,;15.35,-2.18,;16.69,-1.41,;15.35,-3.72,;14.02,-4.49,;16.69,-4.49,;22.02,.15,;23.35,.93,;22.02,-1.39,;20.69,-2.16,;23.35,-2.16,;22,-2.92,;28.6,.81,;29.94,.05,;31.26,.83,;29.95,-1.49,;28.61,-2.27,;27.27,-1.51,;27.27,.03,;25.93,.8,)| Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)8-5-9-20(23)30)14-39-22-11-10-21(26(34-22)28(31,32)33)36(3)13-16-6-4-7-17(12-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)	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	80	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