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BDBM50531452 CHEMBL4521489

SMILES: COCCn1c2sc(Cn3ccnc3)c(C)c2c(=O)n(CCc2ccccc2)c1=O

InChI Key: InChIKey=ZSMAKOUUFPRLMI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50531452   
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 receptors; A2a & A2b


(Homo sapiens (Human))		BDBM50531452
PNG
(CHEMBL4521489)
Show SMILES COCCn1c2sc(Cn3ccnc3)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C22H24N4O3S/c1-16-18(14-24-11-9-23-15-24)30-21-19(16)20(27)25(22(28)26(21)12-13-29-2)10-8-17-6-4-3-5-7-17/h3-7,9,11,15H,8,10,12-14H2,1-2H3
NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay

Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
More data for this
Ligand-Target Pair