BDBM50092310 CHEMBL3581661::US9675697, Cpd. No. 23

SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21

InChI Key InChIKey=WHDUHJYPRJXLGF-UHFFFAOYSA-N

Data  12 KI  2 IC50  21 Kd

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50092310   

TargetProtein polybromo-1(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50092310(CHEMBL3581661 | US9675697, Cpd. No. 23)
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to biotinylated PB1BR5 (645 to 766 amino acid residues) (unknown origin) expressed in Rosetta2 cells by bio-layer interferometry met...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed