BDBM50125333 CHEMBL3623612

SMILES COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3C(=O)[C@H](c4cc(c(c(c4)OC)OC)OC)C5CCCCC5

InChI Key InChIKey=OEQZPFWOEOOISR-UHFFFAOYSA-N

Data  6 KI  1 Kd

PDB links: 4 PDB IDs match 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 7 hits for monomerid = 50125333   

TargetPeptidyl-prolyl cis-trans isomerase FKBP5(Human)
Technical University Darmstadt

Curated by ChEMBL
LigandPNGBDBM50125333(CHEMBL3623612)
Affinity DataKd:  9.80nMAssay Description:Binding affinity to FKBP51 FK1 domain (unknown origin) assessed as dissociation constant at 25 degreeC by isothermal titration calorimetric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeptidyl-prolyl cis-trans isomerase FKBP5(Human)
Technical University Darmstadt

Curated by ChEMBL
LigandPNGBDBM50125333(CHEMBL3623612)
Affinity DataKi:  4nMAssay Description:Displacement of iFit-FL from FKBP51 (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeptidyl-prolyl cis-trans isomerase FKBP5(Human)
Technical University Darmstadt

Curated by ChEMBL
LigandPNGBDBM50125333(CHEMBL3623612)
Affinity DataKi:  4nMAssay Description:Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeptidyl-prolyl cis-trans isomerase FKBP5(Human)
Technical University Darmstadt

Curated by ChEMBL
LigandPNGBDBM50125333(CHEMBL3623612)
Affinity DataKi:  6nMAssay Description:Binding affinity to FKBP51 (unknown origin) assessed as inhibition constant by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Human)
Max Planck Institute of Psychiatry

Curated by ChEMBL
LigandPNGBDBM50125333(CHEMBL3623612)
Affinity DataKi:  90nMAssay Description:Binding affinity to FKBP12 (unknown origin) by competitive fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2016
Entry Details Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase FKBP4(Human)
Technical University Darmstadt

Curated by ChEMBL
LigandPNGBDBM50125333(CHEMBL3623612)
Affinity DataKi:  3.86E+3nMAssay Description:Binding affinity to FKBP52 (unknown origin) assessed as inhibition constant by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMed
TargetPeptidyl-prolyl cis-trans isomerase FKBP4(Human)
Technical University Darmstadt

Curated by ChEMBL
LigandPNGBDBM50125333(CHEMBL3623612)
Affinity DataKi: >5.00E+4nMAssay Description:Binding affinity to FKBP52 (unknown origin) by competitive fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2016
Entry Details Article
PubMed