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SMILES: Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCN3CCCC(F)(C3)C(F)(F)F)nn12

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 508630   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM508630
PNG
(US11046714, Example 72 | US11046714, Example 73)
Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCN3CCCC(F)(C3)C(F)(F)F)nn12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.900n/an/an/an/an/an/an/an/a


TBA

Assay Description
The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T2C
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM508630
PNG
(US11046714, Example 72 | US11046714, Example 73)
Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCN3CCCC(F)(C3)C(F)(F)F)nn12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.900n/an/an/an/an/an/an/an/a


TBA

Assay Description
The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T2C
More data for this
Ligand-Target Pair