BDBM50089432 1,18-dihydroxy-19,30-dimethoxy-12-{2-[3-methoxy-4-(methoxy(methyl)carbamic acid-(3R,4S)-cyclohexyl]-1-methylethyl}-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,28-diene-2,3,10,14,20-pentaone::CHEMBL266011

SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)CCCC\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OC(=O)N(C)OC

InChI Key InChIKey=PWGONGVFODBQLG-UHFFFAOYSA-N

Data  1 IC50

  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 = 50089432   

TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50089432(1,18-dihydroxy-19,30-dimethoxy-12-{2-[3-methoxy-4-...)
Affinity DataIC50: 1.00E+3nMAssay Description:The compound was tested for binding affinity to FK506 binding protein 12 using Rapamycin as control, with an ascomycin conjugate of alkaline phosphat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed