BDBM50082053 (E)-(1R,9S,12S,13R,17R,21S,23S,24R,25S,27R)-17-Ethyl-1-hydroxy-12-[(E)-2-((1R,3R,4R)-4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]octacos-18-ene-2,3,10,16-tetraone::CHEMBL71458

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)CCC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC

InChI Key InChIKey=IGZKWIHLQSVVDX-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50082053   

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

Curated by ChEMBL
LigandPNGBDBM50082053((E)-(1R,9S,12S,13R,17R,21S,23S,24R,25S,27R)-17-Eth...)
Affinity DataIC50: 0.770nMAssay Description:The compound was tested for binding affinity against human FK506 binding protein 12More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed