BDBM50288766 (1S,9R)-13-{2-[(1S,2R,5R)-1-Hydroxy-5-(2-methoxy-1-methyl-ethyl)-2-methyl-cyclohexyl]-2-oxo-acetyl}-5-hydroxymethyl-3,7-dioxa-13-aza-bicyclo[7.3.1]tridecane-2,8-dione::CHEMBL337958
SMILES: COCC(C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCC(CO)COC2=O
InChI Key: InChIKey=FQDRTTRJMQIQNG-DMOQIMQUSA-N
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human)) | BDBM50288766 ((1S,9R)-13-{2-[(1S,2R,5R)-1-Hydroxy-5-(2-methoxy-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase | Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ | |||||||||||
More data for this Ligand-Target Pair |