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BDBM50242076 CHEMBL4062691

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CCN(CC)CC)c1

InChI Key: InChIKey=SGXKKDZOYJQMJY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50242076   
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 A2b


(Homo sapiens (Human))		BDBM50242076
PNG
(CHEMBL4062691)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CCN(CC)CC)c1
Show InChI InChI=1S/C22H31N7O2/c1-5-11-28-20-18(21(30)29(12-6-2)22(28)31)24-19(25-20)17-15-23-27(16-17)14-10-9-13-26(7-3)8-4/h15-16H,5-8,11-14H2,1-4H3,(H,24,25)
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Reactome pathway
KEGG

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Similars
Article
PubMed
 200n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins

Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair