BDBM30326 MFA-1
SMILES: C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)C(O)=O)C1CC[C@@H]2C(=O)c1ccc(O)cc1
InChI Key: InChIKey=RPNNXCYIESWDSC-RCFJZYRUSA-N
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 |
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Bile acid receptor (Homo sapiens (Human)) | BDBM30326 (MFA-1) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 16.9 | n/a | n/a | 7.0 | 4 |
Merck Research Laboratories | Assay Description To each well of a 96-well assay plate, assay buffer was added containing purified GST-FXR, Eu-labeled anti-GST antibody (Perkin-Elmer), streptavidin-... | Proc Natl Acad Sci U S A 105: 5337-42 (2008) Article DOI: 10.1073/pnas.0710981105 BindingDB Entry DOI: 10.7270/Q2QC01VJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |