BDBM50288768 (1R,10S)-14-(3,3-Dimethyl-2-oxo-pentanoyl)-3,8-dioxa-14-aza-bicyclo[8.3.1]tetradecane-2,9-dione::CHEMBL127475
SMILES: CCC(C)(C)C(=O)C(=O)N1C2CCCC1C(=O)OCCCCOC2=O
InChI Key: InChIKey=YFBWNEZSVDWRSM-UHFFFAOYSA-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)) | BDBM50288768 ((1R,10S)-14-(3,3-Dimethyl-2-oxo-pentanoyl)-3,8-dio...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 8.30E+3 | 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 |