BDBM10 CHEMBL12193::delta-valerolactam::piperidin-2-one

SMILES O=C1CCCCN1

InChI Key InChIKey=XUWHAWMETYGRKB-UHFFFAOYSA-N

Data  1 KI  1 Kd  2 ITC

PDB links: 3 PDB IDs match this monomer.

  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 2 hits for monomerid = 10   

TargetAlcohol dehydrogenase E/S chain(Horse)
TBA

Curated by ChEMBL
LigandPNGBDBM10(CHEMBL12193 | delta-valerolactam | piperidin-2-one)
Affinity DataKi:  1.30E+7nMAssay Description:In vitro inhibition against horse liver alcohol dehydrogenaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeptidyl-prolyl cis-trans isomerase FKBP5(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM10(CHEMBL12193 | delta-valerolactam | piperidin-2-one)
Affinity DataKd:  2.80E+6nMAssay Description:Binding affinity to 15N-labeled FKBP51 (1 to 140 residues) (unknown origin) expressed in Escherichia coli OD2N by two-dimensional 1H/15N HSQC NMR spe...More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 10   

HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
National Institute of Standards and Technology

GuestPNGBDBM10(CHEMBL12193 | delta-valerolactam | piperidin-2-one)
ITC DataΔG°: -0.955kcal/mole −TΔS°: 1.92kcal/mole ΔH°: -2.87kcal/mole logk: 5
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute of Standards and Technology

GuestPNGBDBM10(CHEMBL12193 | delta-valerolactam | piperidin-2-one)
ITC DataΔG°: -1.91kcal/mole −TΔS°: -0.997kcal/mole ΔH°: -0.884kcal/mole logk: 25
pH: 6.9 T: 25.00°C 
In DepthDetails