BDBM501630 US11028041, Compound 21

SMILES COC(=O)c1c(cc(c(c1CCc2cccnc2Cc3ccccc3)Cl)O)O

InChI Key InChIKey=XODLEZWUEQKVLO-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 501630   

TargetEndoplasmin(Dog)
University of Kansas

US Patent
LigandPNGBDBM501630(US11028041, Compound 21)
Affinity DataKd:  180nMAssay Description:The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2021
Entry Details
Go to US Patent

TargetHeat shock protein HSP 90-alpha(Human)
University of Kansas

US Patent
LigandPNGBDBM501630(US11028041, Compound 21)
Affinity DataKd:  160nMAssay Description:The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2021
Entry Details
Go to US Patent