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SMILES: Cc1ncoc1-c1c(nc(N)c2nn(CCc3ccccn3)nc12)-c1cccc(c1)C#N

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 = 561434   
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))
BDBM561434
PNG
(3-(4-amino-7-(4-methyloxazol-5-yl)-2-(2-(pyridin-2...)
Show SMILES Cc1ncoc1-c1c(nc(N)c2nn(CCc3ccccn3)nc12)-c1cccc(c1)C#N |(1.47,2.32,;.01,2.8,;-.47,4.26,;-2.01,4.26,;-2.48,2.8,;-1.24,1.9,;-1.24,.36,;-2.57,-.41,;-2.57,-1.95,;-1.24,-2.72,;-1.24,-4.26,;.1,-1.95,;1.56,-2.43,;2.47,-1.18,;4.01,-1.18,;4.78,.15,;6.26,.55,;7.35,-.54,;8.84,-.14,;9.24,1.34,;8.15,2.43,;6.66,2.03,;1.56,.06,;.1,-.41,;-3.9,.36,;-3.9,1.9,;-5.24,2.67,;-6.57,1.9,;-6.57,.36,;-5.24,-.41,;-7.91,-.41,;-9.24,-1.18,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Stably transfected HEK-293 cells expressing the human adenosine A2A receptor (Perkin Elmer) are maintained in MEM culture medium with 10% FBS and 400...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MK6H4B
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM561434
PNG
(3-(4-amino-7-(4-methyloxazol-5-yl)-2-(2-(pyridin-2...)
Show SMILES Cc1ncoc1-c1c(nc(N)c2nn(CCc3ccccn3)nc12)-c1cccc(c1)C#N |(1.47,2.32,;.01,2.8,;-.47,4.26,;-2.01,4.26,;-2.48,2.8,;-1.24,1.9,;-1.24,.36,;-2.57,-.41,;-2.57,-1.95,;-1.24,-2.72,;-1.24,-4.26,;.1,-1.95,;1.56,-2.43,;2.47,-1.18,;4.01,-1.18,;4.78,.15,;6.26,.55,;7.35,-.54,;8.84,-.14,;9.24,1.34,;8.15,2.43,;6.66,2.03,;1.56,.06,;.1,-.41,;-3.9,.36,;-3.9,1.9,;-5.24,2.67,;-6.57,1.9,;-6.57,.36,;-5.24,-.41,;-7.91,-.41,;-9.24,-1.18,)|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 55n/an/an/an/a


TBA

Assay Description
Stably transfected HEK-293 cells expressing the human adenosine A2B receptor (Perkin Elmer) were maintained in MEM culture medium with 10% FBS and 10...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MK6H4B
More data for this
Ligand-Target Pair