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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Nuclear receptor subfamily 1 group I member 2 (292/293 > 99%)† (Homo sapiens (Human)) | BDBM19993 (CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 40 | n/a | 13 | n/a | n/a | 8.0 | 22 |
University of North Carolina at Chapel Hill | Assay Description Polylysine YiO imaging beads (Amersham, GE Healthcare) were coated with histidine-tagged WT PXR LBD. Nonspecific binding sites were blocked with BSA.... | Bioorg Med Chem 15: 2156-66 (2007) Article DOI: 10.1016/j.bmc.2006.12.026 BindingDB Entry DOI: 10.7270/Q2PG1Q15 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nuclear receptor subfamily 1 group I member 2 (292/293 > 99%)† (Homo sapiens (Human)) | BDBM19993 (CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Agonist activity at VP16-fused human PXR expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay | Bioorg Med Chem 26: 4493-4501 (2018) Article DOI: 10.1016/j.bmc.2018.07.038 BindingDB Entry DOI: 10.7270/Q2QV3Q5T | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nuclear receptor subfamily 1 group I member 2 (292/293 > 99%)† (Homo sapiens (Human)) | BDBM19993 (CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Agonist activity at GAL4-fused human PXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo... | Bioorg Med Chem Lett 23: 6604-9 (2013) Article DOI: 10.1016/j.bmcl.2013.10.054 BindingDB Entry DOI: 10.7270/Q2474CBT | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nuclear receptor subfamily 1 group I member 2 (292/293 > 99%)† (Homo sapiens (Human)) | BDBM19993 (CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Transactivation of PXR in human HepG2 cells by receptor transactivation assay | Bioorg Med Chem Lett 28: 85-93 (2018) Article DOI: 10.1016/j.bmcl.2017.12.006 BindingDB Entry DOI: 10.7270/Q2862K0Z | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nuclear receptor subfamily 1 group I member 2 (292/293 > 99%)† (Homo sapiens (Human)) | BDBM19993 (CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Agonist activity at PXR (unknown origin) expressed in HEK293 cells assessed as transcriptional activity by GAL4 NR reporter cell-based assay | J Med Chem 57: 5871-92 (2014) Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nuclear receptor subfamily 1 group I member 2 (292/293 > 99%)† (Homo sapiens (Human)) | BDBM19993 (CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 270 | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Agonist activity at human PXR transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay | Bioorg Med Chem Lett 26: 1817-20 (2016) Article DOI: 10.1016/j.bmcl.2016.02.031 BindingDB Entry DOI: 10.7270/Q2R2138B | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |