BDBM28142 methyl (2S)-2-[(3-bromobenzene)sulfonyl]-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopenta[b]indol-2-yl]-2-fluoroacetate::tetrahydro-cyclopenta[b]indole, (+/-)22
SMILES: [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Br)c1
InChI Key: InChIKey=HTTQXFNNULAJHM-GIPWTMENSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Oxysterols receptor LXR-beta (Homo sapiens (Human)) | BDBM28142 (methyl (2S)-2-[(3-bromobenzene)sulfonyl]-2-[(2R)-7...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 30 | n/a | 150 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd | Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol... | Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxysterols receptor LXR-alpha (Homo sapiens (Human)) | BDBM28142 (methyl (2S)-2-[(3-bromobenzene)sulfonyl]-2-[(2R)-7...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 100 | n/a | 850 | n/a | n/a | 7.4 | 22 |
F. Hoffmann-La Roche Ltd | Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol... | Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN | |||||||||||
More data for this Ligand-Target Pair |