BDBM50079765 C32-O-Phenalkyl ether derivative of Ascomycin::C32-O-cinnamyl ether analogue of L-683590::CHEMBL293155

SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OCc2ccccc2)[C@@H](C1)OC

InChI Key InChIKey=HWGODLGRCCMNLY-PVOGNCNZSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079765   

TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50079765(C32-O-Phenalkyl ether derivative of Ascomycin | C3...)
Affinity DataEC50:  5.30nMAssay Description:Effective concentration determined was towards FK506 binding protein 12 by competitive binding assay using [3H]-dihydro FK-506 as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed