Found 4 hits for monomerid = 50030477 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 |
Pregnane X receptor
(Homo sapiens (Human)) | BDBM50030477
(CHEBI:77317 | CHEMBL458767 | SR-12813)Show SMILES [#6]-[#6]-[#8]P(=O)([#8]-[#6]-[#6])[#6](=[#6]\c1cc(c(-[#8])c(c1)C([#6])([#6])[#6])C([#6])([#6])[#6])\P(=O)([#8]-[#6]-[#6])[#8]-[#6]-[#6] Show InChI InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
Phenex Pharmaceuticals AG
Curated by ChEMBL
| Assay Description Agonist activity at human pregnane X receptor expressed in HEK293 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 24: 5265-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.053 BindingDB Entry DOI: 10.7270/Q2S46TKZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
HMG-CoA reductase
(Homo sapiens (Human)) | BDBM50030477
(CHEBI:77317 | CHEMBL458767 | SR-12813)Show SMILES [#6]-[#6]-[#8]P(=O)([#8]-[#6]-[#6])[#6](=[#6]\c1cc(c(-[#8])c(c1)C([#6])([#6])[#6])C([#6])([#6])[#6])\P(=O)([#8]-[#6]-[#6])[#8]-[#6]-[#6] Show InChI InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| | n/a | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Pregnane X receptor
(Homo sapiens (Human)) | BDBM50030477
(CHEBI:77317 | CHEMBL458767 | SR-12813)Show SMILES [#6]-[#6]-[#8]P(=O)([#8]-[#6]-[#6])[#6](=[#6]\c1cc(c(-[#8])c(c1)C([#6])([#6])[#6])C([#6])([#6])[#6])\P(=O)([#8]-[#6]-[#6])[#8]-[#6]-[#6] Show InChI InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB
| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Pregnane X receptor
(Homo sapiens (Human)) | BDBM50030477
(CHEBI:77317 | CHEMBL458767 | SR-12813)Show SMILES [#6]-[#6]-[#8]P(=O)([#8]-[#6]-[#6])[#6](=[#6]\c1cc(c(-[#8])c(c1)C([#6])([#6])[#6])C([#6])([#6])[#6])\P(=O)([#8]-[#6]-[#6])[#8]-[#6]-[#6] Show InChI InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 440 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center
Curated by ChEMBL
| Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay |
Drug Metab Dispos 39: 151-9 (2010)
Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |