BDBM50323528 2-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)phenoxy)acetic acid::CHEMBL1209113

SMILES: CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(OCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=SFOQBCXZRDNJQP-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 = 50323528   

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))	BDBM50323528 (2-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...) Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(OCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(32.35,-3.82,;31.73,-5.23,;30.2,-5.4,;32.64,-6.48,;34.19,-6.47,;34.68,-7.94,;33.43,-8.85,;32.17,-7.95,;30.84,-8.72,;29.51,-7.95,;28.17,-8.72,;26.83,-7.96,;25.5,-8.74,;25.51,-10.27,;24.18,-11.04,;24.19,-12.58,;22.85,-10.28,;21.51,-11.05,;21.52,-12.6,;20.18,-13.38,;18.85,-12.6,;17.51,-13.37,;16.18,-12.6,;14.85,-13.37,;13.51,-12.6,;14.85,-14.91,;18.85,-11.06,;20.18,-10.29,;26.85,-11.04,;28.18,-10.27,;26.85,-12.58,;25.52,-13.35,;28.18,-13.35,;26.83,-14.12,;33.43,-10.39,;34.77,-11.15,;36.09,-10.37,;34.78,-12.68,;33.44,-13.47,;32.1,-12.7,;32.1,-11.16,;30.76,-10.4,)| Show InChI InChI=1S/C29H26Cl2F3N3O5/c1-16(2)27-19(26(36-42-27)25-20(30)5-4-6-21(25)31)14-41-23-12-11-22(28(35-23)29(32,33)34)37(3)13-17-7-9-18(10-8-17)40-15-24(38)39/h4-12,16H,13-15H2,1-3H3,(H,38,39)	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	35	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))	BDBM50323528 (2-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...) Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(OCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(32.35,-3.82,;31.73,-5.23,;30.2,-5.4,;32.64,-6.48,;34.19,-6.47,;34.68,-7.94,;33.43,-8.85,;32.17,-7.95,;30.84,-8.72,;29.51,-7.95,;28.17,-8.72,;26.83,-7.96,;25.5,-8.74,;25.51,-10.27,;24.18,-11.04,;24.19,-12.58,;22.85,-10.28,;21.51,-11.05,;21.52,-12.6,;20.18,-13.38,;18.85,-12.6,;17.51,-13.37,;16.18,-12.6,;14.85,-13.37,;13.51,-12.6,;14.85,-14.91,;18.85,-11.06,;20.18,-10.29,;26.85,-11.04,;28.18,-10.27,;26.85,-12.58,;25.52,-13.35,;28.18,-13.35,;26.83,-14.12,;33.43,-10.39,;34.77,-11.15,;36.09,-10.37,;34.78,-12.68,;33.44,-13.47,;32.1,-12.7,;32.1,-11.16,;30.76,-10.4,)| Show InChI InChI=1S/C29H26Cl2F3N3O5/c1-16(2)27-19(26(36-42-27)25-20(30)5-4-6-21(25)31)14-41-23-12-11-22(28(35-23)29(32,33)34)37(3)13-17-7-9-18(10-8-17)40-15-24(38)39/h4-12,16H,13-15H2,1-3H3,(H,38,39)	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	19	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))	BDBM50323528 (2-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...) Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(OCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(32.35,-3.82,;31.73,-5.23,;30.2,-5.4,;32.64,-6.48,;34.19,-6.47,;34.68,-7.94,;33.43,-8.85,;32.17,-7.95,;30.84,-8.72,;29.51,-7.95,;28.17,-8.72,;26.83,-7.96,;25.5,-8.74,;25.51,-10.27,;24.18,-11.04,;24.19,-12.58,;22.85,-10.28,;21.51,-11.05,;21.52,-12.6,;20.18,-13.38,;18.85,-12.6,;17.51,-13.37,;16.18,-12.6,;14.85,-13.37,;13.51,-12.6,;14.85,-14.91,;18.85,-11.06,;20.18,-10.29,;26.85,-11.04,;28.18,-10.27,;26.85,-12.58,;25.52,-13.35,;28.18,-13.35,;26.83,-14.12,;33.43,-10.39,;34.77,-11.15,;36.09,-10.37,;34.78,-12.68,;33.44,-13.47,;32.1,-12.7,;32.1,-11.16,;30.76,-10.4,)| Show InChI InChI=1S/C29H26Cl2F3N3O5/c1-16(2)27-19(26(36-42-27)25-20(30)5-4-6-21(25)31)14-41-23-12-11-22(28(35-23)29(32,33)34)37(3)13-17-7-9-18(10-8-17)40-15-24(38)39/h4-12,16H,13-15H2,1-3H3,(H,38,39)	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	214	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