BDBM50323534 2-(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)benzamido)ethanesulfonic acid::CHEMBL1209174

SMILES: CN(Cc1ccc(cc1)C(=O)NCCS(O)(=O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F

InChI Key: InChIKey=KLZBLVDJYFBAGJ-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 = 50323534   

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))	BDBM50323534 (2-(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)is...) Show SMILES CN(Cc1ccc(cc1)C(=O)NCCS(O)(=O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(25.42,-47.4,;25.41,-45.86,;24.07,-45.1,;22.74,-45.87,;22.75,-47.42,;21.41,-48.2,;20.08,-47.43,;20.08,-45.88,;21.41,-45.11,;18.74,-48.19,;18.74,-49.73,;17.41,-47.42,;16.08,-48.19,;14.74,-47.42,;13.41,-48.19,;12.08,-47.42,;12.62,-49.51,;14.16,-49.51,;26.74,-45.09,;26.73,-43.56,;28.05,-42.78,;29.4,-43.55,;30.74,-42.77,;32.07,-43.54,;33.4,-42.77,;33.87,-41.3,;35.42,-41.29,;35.9,-42.76,;34.66,-43.68,;34.66,-45.21,;35.99,-45.97,;37.32,-45.19,;36.01,-47.5,;34.67,-48.29,;33.33,-47.52,;33.33,-45.98,;31.99,-45.22,;32.95,-40.06,;32.79,-38.53,;31.55,-39.44,;29.41,-45.09,;28.08,-45.86,;28.08,-47.4,;26.74,-48.17,;29.41,-48.17,;28.06,-48.94,)| Show InChI InChI=1S/C30H27Cl2F3N4O6S/c1-39(15-17-5-7-19(8-6-17)29(40)36-13-14-46(41,42)43)23-11-12-24(37-28(23)30(33,34)35)44-16-20-26(38-45-27(20)18-9-10-18)25-21(31)3-2-4-22(25)32/h2-8,11-12,18H,9-10,13-16H2,1H3,(H,36,40)(H,41,42,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	925	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))	BDBM50323534 (2-(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)is...) Show SMILES CN(Cc1ccc(cc1)C(=O)NCCS(O)(=O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(25.42,-47.4,;25.41,-45.86,;24.07,-45.1,;22.74,-45.87,;22.75,-47.42,;21.41,-48.2,;20.08,-47.43,;20.08,-45.88,;21.41,-45.11,;18.74,-48.19,;18.74,-49.73,;17.41,-47.42,;16.08,-48.19,;14.74,-47.42,;13.41,-48.19,;12.08,-47.42,;12.62,-49.51,;14.16,-49.51,;26.74,-45.09,;26.73,-43.56,;28.05,-42.78,;29.4,-43.55,;30.74,-42.77,;32.07,-43.54,;33.4,-42.77,;33.87,-41.3,;35.42,-41.29,;35.9,-42.76,;34.66,-43.68,;34.66,-45.21,;35.99,-45.97,;37.32,-45.19,;36.01,-47.5,;34.67,-48.29,;33.33,-47.52,;33.33,-45.98,;31.99,-45.22,;32.95,-40.06,;32.79,-38.53,;31.55,-39.44,;29.41,-45.09,;28.08,-45.86,;28.08,-47.4,;26.74,-48.17,;29.41,-48.17,;28.06,-48.94,)| Show InChI InChI=1S/C30H27Cl2F3N4O6S/c1-39(15-17-5-7-19(8-6-17)29(40)36-13-14-46(41,42)43)23-11-12-24(37-28(23)30(33,34)35)44-16-20-26(38-45-27(20)18-9-10-18)25-21(31)3-2-4-22(25)32/h2-8,11-12,18H,9-10,13-16H2,1H3,(H,36,40)(H,41,42,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	14	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))	BDBM50323534 (2-(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)is...) Show SMILES CN(Cc1ccc(cc1)C(=O)NCCS(O)(=O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(25.42,-47.4,;25.41,-45.86,;24.07,-45.1,;22.74,-45.87,;22.75,-47.42,;21.41,-48.2,;20.08,-47.43,;20.08,-45.88,;21.41,-45.11,;18.74,-48.19,;18.74,-49.73,;17.41,-47.42,;16.08,-48.19,;14.74,-47.42,;13.41,-48.19,;12.08,-47.42,;12.62,-49.51,;14.16,-49.51,;26.74,-45.09,;26.73,-43.56,;28.05,-42.78,;29.4,-43.55,;30.74,-42.77,;32.07,-43.54,;33.4,-42.77,;33.87,-41.3,;35.42,-41.29,;35.9,-42.76,;34.66,-43.68,;34.66,-45.21,;35.99,-45.97,;37.32,-45.19,;36.01,-47.5,;34.67,-48.29,;33.33,-47.52,;33.33,-45.98,;31.99,-45.22,;32.95,-40.06,;32.79,-38.53,;31.55,-39.44,;29.41,-45.09,;28.08,-45.86,;28.08,-47.4,;26.74,-48.17,;29.41,-48.17,;28.06,-48.94,)| Show InChI InChI=1S/C30H27Cl2F3N4O6S/c1-39(15-17-5-7-19(8-6-17)29(40)36-13-14-46(41,42)43)23-11-12-24(37-28(23)30(33,34)35)44-16-20-26(38-45-27(20)18-9-10-18)25-21(31)3-2-4-22(25)32/h2-8,11-12,18H,9-10,13-16H2,1H3,(H,36,40)(H,41,42,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.42E+3	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