BDBM50323532 2-(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)benzamido)ethyl dihydrogen phosphate::CHEMBL1209172

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

InChI Key: InChIKey=MOHAQKYPACPOPP-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 = 50323532   

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))	BDBM50323532 (2-(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...) Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(=O)NCCOP(O)(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(29.58,-28.23,;28.96,-29.64,;27.43,-29.81,;29.87,-30.88,;31.42,-30.88,;31.91,-32.35,;30.66,-33.26,;29.4,-32.36,;28.08,-33.12,;26.74,-32.36,;25.4,-33.13,;24.06,-32.37,;22.73,-33.14,;22.74,-34.67,;21.41,-35.45,;21.42,-36.99,;20.08,-34.68,;18.75,-35.46,;17.41,-34.7,;16.08,-35.47,;16.08,-37.01,;17.41,-37.78,;18.75,-37.01,;17.41,-39.32,;18.75,-40.09,;16.08,-40.09,;14.75,-39.32,;13.41,-40.09,;12.08,-39.32,;10.74,-40.09,;9.96,-41.42,;11.5,-41.42,;9.41,-39.32,;24.08,-35.45,;25.41,-34.67,;24.08,-36.99,;22.75,-37.76,;25.41,-37.75,;24.06,-38.52,;30.66,-34.79,;32,-35.55,;33.32,-34.77,;32.01,-37.09,;30.67,-37.87,;29.34,-37.11,;29.33,-35.57,;27.99,-34.8,)| Show InChI InChI=1S/C30H30Cl2F3N4O7P/c1-17(2)27-20(26(38-46-27)25-21(31)8-5-9-22(25)32)16-44-24-11-10-23(28(37-24)30(33,34)35)39(3)15-18-6-4-7-19(14-18)29(40)36-12-13-45-47(41,42)43/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,36,40)(H2,41,42,43)	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	457	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))	BDBM50323532 (2-(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...) Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(=O)NCCOP(O)(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(29.58,-28.23,;28.96,-29.64,;27.43,-29.81,;29.87,-30.88,;31.42,-30.88,;31.91,-32.35,;30.66,-33.26,;29.4,-32.36,;28.08,-33.12,;26.74,-32.36,;25.4,-33.13,;24.06,-32.37,;22.73,-33.14,;22.74,-34.67,;21.41,-35.45,;21.42,-36.99,;20.08,-34.68,;18.75,-35.46,;17.41,-34.7,;16.08,-35.47,;16.08,-37.01,;17.41,-37.78,;18.75,-37.01,;17.41,-39.32,;18.75,-40.09,;16.08,-40.09,;14.75,-39.32,;13.41,-40.09,;12.08,-39.32,;10.74,-40.09,;9.96,-41.42,;11.5,-41.42,;9.41,-39.32,;24.08,-35.45,;25.41,-34.67,;24.08,-36.99,;22.75,-37.76,;25.41,-37.75,;24.06,-38.52,;30.66,-34.79,;32,-35.55,;33.32,-34.77,;32.01,-37.09,;30.67,-37.87,;29.34,-37.11,;29.33,-35.57,;27.99,-34.8,)| Show InChI InChI=1S/C30H30Cl2F3N4O7P/c1-17(2)27-20(26(38-46-27)25-21(31)8-5-9-22(25)32)16-44-24-11-10-23(28(37-24)30(33,34)35)39(3)15-18-6-4-7-19(14-18)29(40)36-12-13-45-47(41,42)43/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,36,40)(H2,41,42,43)	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	36	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))	BDBM50323532 (2-(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisox...) Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(=O)NCCOP(O)(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(29.58,-28.23,;28.96,-29.64,;27.43,-29.81,;29.87,-30.88,;31.42,-30.88,;31.91,-32.35,;30.66,-33.26,;29.4,-32.36,;28.08,-33.12,;26.74,-32.36,;25.4,-33.13,;24.06,-32.37,;22.73,-33.14,;22.74,-34.67,;21.41,-35.45,;21.42,-36.99,;20.08,-34.68,;18.75,-35.46,;17.41,-34.7,;16.08,-35.47,;16.08,-37.01,;17.41,-37.78,;18.75,-37.01,;17.41,-39.32,;18.75,-40.09,;16.08,-40.09,;14.75,-39.32,;13.41,-40.09,;12.08,-39.32,;10.74,-40.09,;9.96,-41.42,;11.5,-41.42,;9.41,-39.32,;24.08,-35.45,;25.41,-34.67,;24.08,-36.99,;22.75,-37.76,;25.41,-37.75,;24.06,-38.52,;30.66,-34.79,;32,-35.55,;33.32,-34.77,;32.01,-37.09,;30.67,-37.87,;29.34,-37.11,;29.33,-35.57,;27.99,-34.8,)| Show InChI InChI=1S/C30H30Cl2F3N4O7P/c1-17(2)27-20(26(38-46-27)25-21(31)8-5-9-22(25)32)16-44-24-11-10-23(28(37-24)30(33,34)35)39(3)15-18-6-4-7-19(14-18)29(40)36-12-13-45-47(41,42)43/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,36,40)(H2,41,42,43)	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	216	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