BDBM50236521 CHEMBL3715843

SMILES C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(O)cc1O

InChI Key InChIKey=MJTMTQQRDNWPGK-UHFFFAOYSA-N

Data  2 KI  2 Koff

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50236521   

LigandPNGBDBM50236521(CHEMBL3715843)
Affinity DataKon:  0.0800M-1s-1Assay Description:Binding affinity to PDHK1 (unknown origin) by surface plasmon resonance methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2019
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50236521(CHEMBL3715843)
Affinity DataKon:  0.180M-1s-1Assay Description:Binding affinity to HSP90A (unknown origin) by surface plasmon resonance methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2019
Entry Details Article
PubMed
LigandPNGBDBM50236521(CHEMBL3715843)
Affinity DataKi:  90nMAssay Description:Binding affinity to PDHK1 (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2019
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50236521(CHEMBL3715843)
Affinity DataKi:  3.48E+3nMAssay Description:Displacement of fluorescein-labelled VER160364 from HSP90A (unknown origin) after 90 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2019
Entry Details Article
PubMed