BDBM50323527 4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)-N-(methylsulfonyl)benzamide::CHEMBL1209112

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

InChI Key: InChIKey=OEEYIFZAXZEYNS-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 = 50323527   

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))	BDBM50323527 (4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...) Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(=O)NS(C)(=O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(8.76,-5.27,;8.14,-6.68,;6.61,-6.85,;9.05,-7.92,;10.6,-7.92,;11.09,-9.39,;9.84,-10.3,;8.58,-9.4,;7.25,-10.16,;5.92,-9.4,;4.58,-10.17,;3.24,-9.41,;1.91,-10.18,;1.92,-11.71,;.59,-12.49,;.6,-14.03,;-.74,-11.72,;-2.08,-12.5,;-2.07,-14.05,;-3.41,-14.82,;-4.74,-14.05,;-4.74,-12.51,;-3.41,-11.74,;-6.08,-14.82,;-6.08,-16.36,;-7.41,-14.05,;-8.74,-14.82,;-10.08,-14.05,;-9.53,-16.15,;-7.99,-16.15,;3.26,-12.49,;4.59,-11.71,;3.26,-14.03,;1.93,-14.8,;4.59,-14.79,;3.24,-15.56,;9.84,-11.83,;11.18,-12.59,;12.5,-11.81,;11.19,-14.13,;9.85,-14.91,;8.51,-14.15,;8.51,-12.61,;7.17,-11.84,)| Show InChI InChI=1S/C29H27Cl2F3N4O5S/c1-16(2)26-19(25(36-43-26)24-20(30)6-5-7-21(24)31)15-42-23-13-12-22(27(35-23)29(32,33)34)38(3)14-17-8-10-18(11-9-17)28(39)37-44(4,40)41/h5-13,16H,14-15H2,1-4H3,(H,37,39)	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	40	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))	BDBM50323527 (4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...) Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(=O)NS(C)(=O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(8.76,-5.27,;8.14,-6.68,;6.61,-6.85,;9.05,-7.92,;10.6,-7.92,;11.09,-9.39,;9.84,-10.3,;8.58,-9.4,;7.25,-10.16,;5.92,-9.4,;4.58,-10.17,;3.24,-9.41,;1.91,-10.18,;1.92,-11.71,;.59,-12.49,;.6,-14.03,;-.74,-11.72,;-2.08,-12.5,;-2.07,-14.05,;-3.41,-14.82,;-4.74,-14.05,;-4.74,-12.51,;-3.41,-11.74,;-6.08,-14.82,;-6.08,-16.36,;-7.41,-14.05,;-8.74,-14.82,;-10.08,-14.05,;-9.53,-16.15,;-7.99,-16.15,;3.26,-12.49,;4.59,-11.71,;3.26,-14.03,;1.93,-14.8,;4.59,-14.79,;3.24,-15.56,;9.84,-11.83,;11.18,-12.59,;12.5,-11.81,;11.19,-14.13,;9.85,-14.91,;8.51,-14.15,;8.51,-12.61,;7.17,-11.84,)| Show InChI InChI=1S/C29H27Cl2F3N4O5S/c1-16(2)26-19(25(36-43-26)24-20(30)6-5-7-21(24)31)15-42-23-13-12-22(27(35-23)29(32,33)34)38(3)14-17-8-10-18(11-9-17)28(39)37-44(4,40)41/h5-13,16H,14-15H2,1-4H3,(H,37,39)	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	11	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))	BDBM50323527 (4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...) Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(=O)NS(C)(=O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(8.76,-5.27,;8.14,-6.68,;6.61,-6.85,;9.05,-7.92,;10.6,-7.92,;11.09,-9.39,;9.84,-10.3,;8.58,-9.4,;7.25,-10.16,;5.92,-9.4,;4.58,-10.17,;3.24,-9.41,;1.91,-10.18,;1.92,-11.71,;.59,-12.49,;.6,-14.03,;-.74,-11.72,;-2.08,-12.5,;-2.07,-14.05,;-3.41,-14.82,;-4.74,-14.05,;-4.74,-12.51,;-3.41,-11.74,;-6.08,-14.82,;-6.08,-16.36,;-7.41,-14.05,;-8.74,-14.82,;-10.08,-14.05,;-9.53,-16.15,;-7.99,-16.15,;3.26,-12.49,;4.59,-11.71,;3.26,-14.03,;1.93,-14.8,;4.59,-14.79,;3.24,-15.56,;9.84,-11.83,;11.18,-12.59,;12.5,-11.81,;11.19,-14.13,;9.85,-14.91,;8.51,-14.15,;8.51,-12.61,;7.17,-11.84,)| Show InChI InChI=1S/C29H27Cl2F3N4O5S/c1-16(2)26-19(25(36-43-26)24-20(30)6-5-7-21(24)31)15-42-23-13-12-22(27(35-23)29(32,33)34)38(3)14-17-8-10-18(11-9-17)28(39)37-44(4,40)41/h5-13,16H,14-15H2,1-4H3,(H,37,39)	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	221	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