Found 3 hits of ec50 for monomerid = 50323532 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/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 | 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 | |
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 | |