BDBM50549006 CHEMBL4758875::US20230303494, Compound 12

SMILES COc1nc(NCc2cccc(c2C)-c2ccccc2)ccc1CN[C@H](CO)C(O)=O

InChI Key InChIKey=TWHNFPBKNLKGJZ-UHFFFAOYSA-N

Data  2 IC50

  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 = 50549006   

TargetProgrammed cell death 1 ligand/protein 1(Human)
National Engineering Research Center For The Emergency Drug

Curated by ChEMBL
LigandPNGBDBM50549006(CHEMBL4758875 | US20230303494, Compound 12)
Affinity DataIC50: 4.54E+3nMAssay Description:Inhibition of PD1-Tag2/PD-L1-Tag1 (unknown origin) protein-protein interaction preincubated for 15 mins followed by addition of anti-Tag1-Eu3+ and an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetProgrammed cell death 1 ligand/protein 1(Human)
National Engineering Research Center For The Emergency Drug

Curated by ChEMBL
LigandPNGBDBM50549006(CHEMBL4758875 | US20230303494, Compound 12)
Affinity DataIC50: 4.54E+3nMAssay Description:Example 39: The experimental method and procedure were carried out in accordance with the kit instructions, which were briefly described as follows: ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2023
Entry Details
Go to US Patent