BDBM50527040 LJN-452::LJN452::NVP-LJN452-NXA::TROPIFEXOR::Tropifexor
SMILES: [H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)N2c1nc2c(F)cc(cc2s1)C(O)=O
InChI Key: InChIKey=VYLOOGHLKSNNEK-PIIMJCKOSA-N
Data: 2 EC50
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 FXR (Homo sapiens (Human)) | BDBM50527040 (LJN-452 | LJN452 | NVP-LJN452-NXA | TROPIFEXOR | T...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL | Assay Description Agonist activity at GST-tagged human FXR-LBD (193 to 472 residues) using biotinylated SRC-1 peptide as substrate incubated for 1 hrs by HTRF assay | J Med Chem 63: 3868-3880 (2020) Article DOI: 10.1021/acs.jmedchem.9b01621 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile acid receptor FXR (Homo sapiens (Human)) | BDBM50527040 (LJN-452 | LJN452 | NVP-LJN452-NXA | TROPIFEXOR | T...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | n/a | n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile acid receptor FXR (Homo sapiens (Human)) | BDBM50527040 (LJN-452 | LJN452 | NVP-LJN452-NXA | TROPIFEXOR | T...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL | Assay Description Agonist activity at FXR transfected in human HEK293T cells o-expressing pGL3/hBSEP/luc incubated for 24 hrs by Steady-Glo reagent based luciferase re... | J Med Chem 63: 3868-3880 (2020) Article DOI: 10.1021/acs.jmedchem.9b01621 | |||||||||||
More data for this Ligand-Target Pair |