BDBM50068569 27-Ethyl-30-(1-hydroxy-2-methyl-hex-4-enyl)-3,6-diisobutyl-18,33-diisopropyl-4,7,9,12,15,16,21,25,31-nonamethyl-1,4,7,10,13,16,19,22,25,28decaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone::CHEMBL2371001

SMILES [H][C@@]1([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C)C(C)C

InChI Key InChIKey=HIDQQSHYLDQCFA-UHFFFAOYSA-N

Data  1 KI

  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 = 50068569   

TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Human)
Guilford Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50068569(27-Ethyl-30-(1-hydroxy-2-methyl-hex-4-enyl)-3,6-di...)
Affinity DataKi:  50nMAssay Description:Compound was tested for its ability to inhibit FK506 binding protein 12 rotamase activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2012
Entry Details Article
PubMed