BDBM50323543 3-(1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)ethoxy)benzoic acid::CHEMBL1209364

SMILES: CC(Oc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F

InChI Key: InChIKey=OYQTZOXIZXROCL-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 = 50323543   

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))	BDBM50323543 (3-(1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isox...) Show SMILES CC(Oc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-2.38,-48.45,;-2.39,-46.91,;-3.72,-46.14,;-5.05,-46.92,;-5.05,-48.47,;-6.39,-49.24,;-7.72,-48.47,;-7.72,-46.92,;-6.39,-46.15,;-9.05,-46.15,;-10.39,-46.92,;-9.05,-44.61,;-1.06,-46.13,;-1.07,-44.6,;.26,-43.82,;1.6,-44.59,;2.94,-43.81,;4.28,-44.58,;5.6,-43.81,;6.07,-42.34,;7.62,-42.34,;8.11,-43.8,;6.86,-44.72,;6.86,-46.25,;8.2,-47.01,;9.52,-46.23,;8.21,-48.55,;6.87,-49.33,;5.54,-48.56,;5.53,-47.02,;4.19,-46.26,;5.16,-41.1,;4.99,-39.57,;3.75,-40.48,;1.61,-46.13,;.28,-46.9,;.28,-48.44,;-1.05,-49.21,;1.61,-49.21,;.26,-49.98,)| Show InChI InChI=1S/C28H21Cl2F3N2O5/c1-14(39-17-5-2-4-16(12-17)27(36)37)18-10-11-22(34-26(18)28(31,32)33)38-13-19-24(35-40-25(19)15-8-9-15)23-20(29)6-3-7-21(23)30/h2-7,10-12,14-15H,8-9,13H2,1H3,(H,36,37)	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	107	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))	BDBM50323543 (3-(1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isox...) Show SMILES CC(Oc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-2.38,-48.45,;-2.39,-46.91,;-3.72,-46.14,;-5.05,-46.92,;-5.05,-48.47,;-6.39,-49.24,;-7.72,-48.47,;-7.72,-46.92,;-6.39,-46.15,;-9.05,-46.15,;-10.39,-46.92,;-9.05,-44.61,;-1.06,-46.13,;-1.07,-44.6,;.26,-43.82,;1.6,-44.59,;2.94,-43.81,;4.28,-44.58,;5.6,-43.81,;6.07,-42.34,;7.62,-42.34,;8.11,-43.8,;6.86,-44.72,;6.86,-46.25,;8.2,-47.01,;9.52,-46.23,;8.21,-48.55,;6.87,-49.33,;5.54,-48.56,;5.53,-47.02,;4.19,-46.26,;5.16,-41.1,;4.99,-39.57,;3.75,-40.48,;1.61,-46.13,;.28,-46.9,;.28,-48.44,;-1.05,-49.21,;1.61,-49.21,;.26,-49.98,)| Show InChI InChI=1S/C28H21Cl2F3N2O5/c1-14(39-17-5-2-4-16(12-17)27(36)37)18-10-11-22(34-26(18)28(31,32)33)38-13-19-24(35-40-25(19)15-8-9-15)23-20(29)6-3-7-21(23)30/h2-7,10-12,14-15H,8-9,13H2,1H3,(H,36,37)	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	58	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))	BDBM50323543 (3-(1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isox...) Show SMILES CC(Oc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-2.38,-48.45,;-2.39,-46.91,;-3.72,-46.14,;-5.05,-46.92,;-5.05,-48.47,;-6.39,-49.24,;-7.72,-48.47,;-7.72,-46.92,;-6.39,-46.15,;-9.05,-46.15,;-10.39,-46.92,;-9.05,-44.61,;-1.06,-46.13,;-1.07,-44.6,;.26,-43.82,;1.6,-44.59,;2.94,-43.81,;4.28,-44.58,;5.6,-43.81,;6.07,-42.34,;7.62,-42.34,;8.11,-43.8,;6.86,-44.72,;6.86,-46.25,;8.2,-47.01,;9.52,-46.23,;8.21,-48.55,;6.87,-49.33,;5.54,-48.56,;5.53,-47.02,;4.19,-46.26,;5.16,-41.1,;4.99,-39.57,;3.75,-40.48,;1.61,-46.13,;.28,-46.9,;.28,-48.44,;-1.05,-49.21,;1.61,-49.21,;.26,-49.98,)| Show InChI InChI=1S/C28H21Cl2F3N2O5/c1-14(39-17-5-2-4-16(12-17)27(36)37)18-10-11-22(34-26(18)28(31,32)33)38-13-19-24(35-40-25(19)15-8-9-15)23-20(29)6-3-7-21(23)30/h2-7,10-12,14-15H,8-9,13H2,1H3,(H,36,37)	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	155	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