BDBM50090940 3-(2-{4-[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-2,6-dimethyl-phenyl}-vinyl)-benzoic acid::CHEMBL319544

SMILES: Cc1onc(c1COc1cc(C)c(\C=C\c2cccc(c2)C(O)=O)c(C)c1)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=ODSSNBPRHXSYQI-ZHACJKMWSA-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 = 50090940   

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))	BDBM50090940 (3-(2-{4-[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol...) Show SMILES Cc1onc(c1COc1cc(C)c(\C=C\c2cccc(c2)C(O)=O)c(C)c1)-c1c(Cl)cccc1Cl |(23.6,-3.46,;24.75,-4.49,;26.25,-4.16,;27.04,-5.48,;26,-6.65,;24.61,-6.02,;23.28,-6.79,;21.94,-6.02,;20.62,-6.81,;19.25,-6.04,;17.93,-6.82,;16.6,-6.05,;17.94,-8.35,;16.62,-9.12,;15.28,-8.35,;13.95,-9.14,;13.95,-10.69,;12.6,-11.45,;11.26,-10.69,;11.26,-9.15,;12.6,-8.37,;9.94,-8.38,;8.61,-9.15,;9.94,-6.84,;19.28,-9.12,;19.28,-10.65,;20.62,-8.35,;26.34,-8.15,;25.2,-9.17,;23.73,-8.69,;25.52,-10.68,;26.99,-11.15,;28.13,-10.11,;27.81,-8.61,;28.94,-7.57,)| Show InChI InChI=1S/C28H23Cl2NO4/c1-16-12-21(13-17(2)22(16)11-10-19-6-4-7-20(14-19)28(32)33)34-15-23-18(3)35-31-27(23)26-24(29)8-5-9-25(26)30/h4-14H,15H2,1-3H3,(H,32,33)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Glaxo Wellcome Research& Development Curated by ChEMBL					Assay Description Ligand dependent recruitment of SRC1(676-700) peptide to human Farnesoid X-activated receptor by fluorescence resonance energy transfer assay				J Med Chem 43: 2971-4 (2000) BindingDB Entry DOI: 10.7270/Q2HQ40M3
					More data for this Ligand-Target Pair
Bile acid receptor FXR (Homo sapiens (Human))	BDBM50090940 (3-(2-{4-[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol...) Show SMILES Cc1onc(c1COc1cc(C)c(\C=C\c2cccc(c2)C(O)=O)c(C)c1)-c1c(Cl)cccc1Cl |(23.6,-3.46,;24.75,-4.49,;26.25,-4.16,;27.04,-5.48,;26,-6.65,;24.61,-6.02,;23.28,-6.79,;21.94,-6.02,;20.62,-6.81,;19.25,-6.04,;17.93,-6.82,;16.6,-6.05,;17.94,-8.35,;16.62,-9.12,;15.28,-8.35,;13.95,-9.14,;13.95,-10.69,;12.6,-11.45,;11.26,-10.69,;11.26,-9.15,;12.6,-8.37,;9.94,-8.38,;8.61,-9.15,;9.94,-6.84,;19.28,-9.12,;19.28,-10.65,;20.62,-8.35,;26.34,-8.15,;25.2,-9.17,;23.73,-8.69,;25.52,-10.68,;26.99,-11.15,;28.13,-10.11,;27.81,-8.61,;28.94,-7.57,)| Show InChI InChI=1S/C28H23Cl2NO4/c1-16-12-21(13-17(2)22(16)11-10-19-6-4-7-20(14-19)28(32)33)34-15-23-18(3)35-31-27(23)26-24(29)8-5-9-25(26)30/h4-14H,15H2,1-3H3,(H,32,33)/b11-10+	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	4.10E+3	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at FXR (unknown origin) by cell based assay				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701
					More data for this Ligand-Target Pair
Bile acid receptor FXR (Homo sapiens (Human))	BDBM50090940 (3-(2-{4-[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol...) Show SMILES Cc1onc(c1COc1cc(C)c(\C=C\c2cccc(c2)C(O)=O)c(C)c1)-c1c(Cl)cccc1Cl |(23.6,-3.46,;24.75,-4.49,;26.25,-4.16,;27.04,-5.48,;26,-6.65,;24.61,-6.02,;23.28,-6.79,;21.94,-6.02,;20.62,-6.81,;19.25,-6.04,;17.93,-6.82,;16.6,-6.05,;17.94,-8.35,;16.62,-9.12,;15.28,-8.35,;13.95,-9.14,;13.95,-10.69,;12.6,-11.45,;11.26,-10.69,;11.26,-9.15,;12.6,-8.37,;9.94,-8.38,;8.61,-9.15,;9.94,-6.84,;19.28,-9.12,;19.28,-10.65,;20.62,-8.35,;26.34,-8.15,;25.2,-9.17,;23.73,-8.69,;25.52,-10.68,;26.99,-11.15,;28.13,-10.11,;27.81,-8.61,;28.94,-7.57,)| Show InChI InChI=1S/C28H23Cl2NO4/c1-16-12-21(13-17(2)22(16)11-10-19-6-4-7-20(14-19)28(32)33)34-15-23-18(3)35-31-27(23)26-24(29)8-5-9-25(26)30/h4-14H,15H2,1-3H3,(H,32,33)/b11-10+	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	70	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at FXR (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701
					More data for this Ligand-Target Pair