BDBM50575667 CHEMBL4871144

SMILES COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OC[C@@H](O)[C@H](O)COc4cccc2c4)c3)cc1OC

InChI Key InChIKey=KMMZNLFAOHLXKG-NXKLTUDVSA-N

Data  5 Kd

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 5 hits for monomerid = 50575667   

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

Curated by ChEMBL
LigandPNGBDBM50575667(CHEMBL4871144)
Affinity DataKd:  5nMAssay Description:Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPeptidyl-prolyl cis-trans isomerase FKBP4(Homo sapiens (Human))
Technical University Darmstadt

Curated by ChEMBL
LigandPNGBDBM50575667(CHEMBL4871144)
Affinity DataKd:  513nMAssay Description:Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetPeptidyl-prolyl cis-trans isomerase FKBP5(Homo sapiens (Human))
Technical University Darmstadt

Curated by ChEMBL
LigandPNGBDBM50575667(CHEMBL4871144)
Affinity DataKd:  6.90nMAssay 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
Ligand InfoPC cidPC sidPDB
TargetPeptidyl-prolyl cis-trans isomerase FKBP1B(Homo sapiens (Human))
Technical University Darmstadt

Curated by ChEMBL
LigandPNGBDBM50575667(CHEMBL4871144)
Affinity DataKd:  9nMAssay Description:Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Technical University Darmstadt

Curated by ChEMBL
LigandPNGBDBM50575667(CHEMBL4871144)
Affinity DataKd:  22nMAssay Description:Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-y...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed