BDBM17286 (2R,15'S)-5'-(2-methoxyethoxy)-5,5,15'-trimethyl-6-oxospiro[oxane-2,14'-tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane]-2',4',6'-triene-4'-carboxylate::EM-1424
SMILES: COCCOc1cc2CCC3C4CC[C@@]5(CCC(C)(C)C(=O)O5)[C@@]4(C)CCC3c2cc1C(=O)ON
InChI Key: InChIKey=CUTJLDJFYWQIRX-LFCNJKSUSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) (Homo sapiens (Human)) | BDBM17286 ((2R,15'S)-5'-(2-methoxyethoxy)-5,5,15'-trimethyl-6...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | 6.0 | 22 |
CHUL | Assay Description SPA beads conjugated to anti-mouse IgG were incubated overnight in buffer with anti-testosterone monoclonal antibody. The enzymatic reaction was moni... | J Biol Chem 282: 8368-79 (2007) Article DOI: 10.1074/jbc.M606784200 BindingDB Entry DOI: 10.7270/Q27H1GVB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |