BDBM50116636 1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carbothioic acid S-(3-pyridin-3-yl-propyl) ester::CHEMBL118858

SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1cccnc1

InChI Key InChIKey=JWNBMKLACCJEGG-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50116636   

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

Curated by ChEMBL
LigandPNGBDBM50116636(1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-car...)
Affinity DataKi:  8.70nMAssay Description:Inhibitory activity against FK506 binding protein 12More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Human)
Guilford Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50116636(1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-car...)
Affinity DataKi:  11nMAssay Description:Binding affinity to FKBP12 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed