BDBM656996 US20240076297, Example 13.17::US20240076297, Example 6.3

SMILES COc1cccc2c3nc(CCS(C)(=O)=O)nn3c(N)nc12

InChI Key InChIKey=CJZHVYBCDAQZBK-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 656996   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM656996(US20240076297, Example 13.17 | US20240076297, Exam...)
Affinity DataIC50: 8.20nMAssay Description:Method (A): 148 μL (5 μg/mL) membranes (Perkin Elmer, Cat. No. RBHA2aM400UA) and 2 μL compounds of the invention to be tested (test co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2024
Entry Details
Go to US Patent

TargetAdenosine receptor A2b(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM656996(US20240076297, Example 13.17 | US20240076297, Exam...)
Affinity DataIC50: 535nMAssay Description:Method (A): 148 μL (5 μg/mL) membranes (Perkin Elmer, Cat. No. RBHA2aM400UA) and 2 μL compounds of the invention to be tested (test co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2024
Entry Details
Go to US Patent

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM656996(US20240076297, Example 13.17 | US20240076297, Exam...)
Affinity DataIC50: 28.1nMAssay Description:Method (A): 148 μL (5 μg/mL) membranes (Perkin Elmer, Cat. No. RBHA2aM400UA) and 2 μL compounds of the invention to be tested (test co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2024
Entry Details
Go to US Patent

TargetAdenosine receptor A2b(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM656996(US20240076297, Example 13.17 | US20240076297, Exam...)
Affinity DataIC50: 410nMAssay Description:Method (A): 148 μL (5 μg/mL) membranes (Perkin Elmer, Cat. No. RBHA2aM400UA) and 2 μL compounds of the invention to be tested (test co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2024
Entry Details
Go to US Patent