BDBM23334 3-(pyridin-3-yl)propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate::CHEMBL6367::GPI 1046

SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1

InChI Key InChIKey=OQAHHWOPVDDWHD-INIZCTEOSA-N

Data  4 KI  4 IC50

PDB links: 1 PDB ID matches this monomer.

  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 8 hits for monomerid = 23334   

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

Curated by ChEMBL
LigandPNGBDBM23334(3-(pyridin-3-yl)propyl (2S)-1-(3,3-dimethyl-2-oxop...)
Affinity DataKi:  0.0100nMAssay Description:Ability to inhibit peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12More data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM23334(3-(pyridin-3-yl)propyl (2S)-1-(3,3-dimethyl-2-oxop...)
Affinity DataKi:  7.5nMAssay Description:The compound was tested for binding affinity against rotamaseMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM23334(3-(pyridin-3-yl)propyl (2S)-1-(3,3-dimethyl-2-oxop...)
Affinity DataKi:  7.5nMAssay Description:Inhibitory activity against FK506 binding protein 12More data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Bos taurus (bovine))
Guilford Pharmaceuticals

LigandPNGBDBM23334(3-(pyridin-3-yl)propyl (2S)-1-(3,3-dimethyl-2-oxop...)
Affinity DataKi:  7.5nM ΔG°:  -10.1kcal/molepH: 8.0 T: 2°CAssay Description:PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...More data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP4(Homo sapiens (Human))
Max Planck Institute Of Psychiatry

Curated by ChEMBL
LigandPNGBDBM23334(3-(pyridin-3-yl)propyl (2S)-1-(3,3-dimethyl-2-oxop...)
Affinity DataIC50: >1.00E+5nMAssay Description:Binding affinity to FKBP52 FK1 domain by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Glaxo Wellcome

Curated by ChEMBL
LigandPNGBDBM23334(3-(pyridin-3-yl)propyl (2S)-1-(3,3-dimethyl-2-oxop...)
Affinity DataIC50:  2.09E+4nMAssay Description:The inhibitory activity by using FK506 binding protein 12 SPA binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM23334(3-(pyridin-3-yl)propyl (2S)-1-(3,3-dimethyl-2-oxop...)
Affinity DataIC50:  1.24E+3nMAssay Description:Binding affinity to FKBP12 by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP5(Homo sapiens (Human))
Max Planck Institute Of Psychiatry

Curated by ChEMBL
LigandPNGBDBM23334(3-(pyridin-3-yl)propyl (2S)-1-(3,3-dimethyl-2-oxop...)
Affinity DataIC50: >1.00E+5nMAssay Description:Binding affinity to FKBP51 FK1 domain by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed