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BDBM50242079 CHEMBL4093116

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CCN2CCN(C)CC2)c1

InChI Key: InChIKey=HPOXLDHANCYLJD-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50242079   
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))		BDBM50242079
PNG
(CHEMBL4093116)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CCN2CCN(C)CC2)c1
Show InChI InChI=1S/C23H32N8O2/c1-4-8-30-21-19(22(32)31(9-5-2)23(30)33)25-20(26-21)18-16-24-29(17-18)11-7-6-10-28-14-12-27(3)13-15-28/h16-17H,4-5,8-15H2,1-3H3,(H,25,26)
NCI pathway
Reactome pathway
KEGG

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Similars
Article
PubMed
 83n/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