BDBM50385105 CHEMBL2035874::US10322118, Entry 8b

SMILES CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(O)=O)cc2Br)ccc1O

InChI Key InChIKey=VPCSYAVXDAUHLT-UHFFFAOYSA-N

Data  2 KI  1 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 3 hits for monomerid = 50385105   

TargetThyroid hormone receptor beta(Homo sapiens (Human))
Kissei Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50385105(CHEMBL2035874 | US10322118, Entry 8b)
Affinity DataKi:  0.430nMAssay Description:Displacement of [125I]T3 from human recombinant thyroid harmone receptor beta after 16 to 48 hrs by gamma-ray detectionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Kissei Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50385105(CHEMBL2035874 | US10322118, Entry 8b)
Affinity DataKi:  9.60nMAssay Description:Displacement of [125I]T3 from human recombinant thyroid harmone receptor alpha after 16 to 48 hrs by gamma-ray detectionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPutative hydrolase(Pseudomonas aeruginosa (strain UCBPP-PA14))
Dartmouth College

US Patent
LigandPNGBDBM50385105(CHEMBL2035874 | US10322118, Entry 8b)
Affinity DataIC50:  2.70E+3nMAssay Description:The first step in characterizing the two compounds identified by high throughput screening was to verify that the inhibition was reproducible using f...More data for this Ligand-Target Pair