BDBM493776 US10988455, Example 1(ccxii)

SMILES Cc1cc(cc(Br)n1)-c1nnc(N)nc1-c1ccccc1

InChI Key InChIKey=ICKLVGVENQMCQO-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 = 493776   

TargetAdenosine receptor A2a(Human)
Heptares Therapeutics

US Patent
LigandPNGBDBM493776(US10988455, Example 1(ccxii))
Affinity DataKi:  2.19nMAssay 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 A1(Human)
Heptares Therapeutics

US Patent
LigandPNGBDBM493776(US10988455, Example 1(ccxii))
Affinity DataKi:  20.9nMAssay 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