BDBM50228159 CHEMBL237005::methyl 4-(2,2-difluoro-2-(4-isopropylphenylthio)acetyl)morpholine-3-carboxylate

SMILES COC(=O)C1COCCN1C(=O)C(F)(F)Sc1ccc(cc1)C(C)C

InChI Key InChIKey=LHDUVUPVXMFQMM-UHFFFAOYSA-N

Data  1 Kd

  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 = 50228159   

TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Human)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50228159(methyl 4-(2,2-difluoro-2-(4-isopropylphenylthio)ac...)
Affinity DataKd:  1.90E+5nMAssay Description:Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed