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BDBM50242080 CHEMBL4063759

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1

InChI Key: InChIKey=SNEQMPUULBLPIM-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50242080   
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))		BDBM50242080
PNG
(CHEMBL4063759)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C29H33F3N8O2/c1-3-10-39-26-24(27(41)40(11-4-2)28(39)42)34-25(35-26)21-19-33-38(20-21)13-6-5-12-36-14-16-37(17-15-36)23-9-7-8-22(18-23)29(30,31)32/h7-9,18-20H,3-4,10-17H2,1-2H3,(H,34,35)
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Similars
Article
PubMed
 12n/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