BDBM493750 US10988455, Example 1(lxxii)

SMILES Nc1nnc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1

InChI Key InChIKey=QORLVZVXTMAYJJ-UHFFFAOYSA-N

Data  2 KI

  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 = 493750   

TargetAdenosine receptor A1(Human)
Heptares Therapeutics

US Patent
LigandPNGBDBM493750(US10988455, Example 1(lxxii))
Affinity DataKi:  3.02nMAssay Description:All test compounds were prepared as a stock solution of 10 mM in 100% DMSO.Inhibition binding assays were performed using 2.5 μg of membranes pr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
Go to US Patent

TargetAdenosine receptor A2a(Human)
Heptares Therapeutics

US Patent
LigandPNGBDBM493750(US10988455, Example 1(lxxii))
Affinity DataKi:  102nMAssay Description:All test compounds were prepared as a stock solution of 10 mM in 100% DMSO.Inhibition binding assays were performed using 2.5 μg of membranes pr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
Go to US Patent