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BDBM50531421 CHEMBL4517977

SMILES: Cc1csc2n(Cc3nc[nH]c3C)c(=O)n(CCc3ccccc3)c(=O)c12

InChI Key: InChIKey=LUSPKHAKXCBHNO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50531421   
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))		BDBM50531421
PNG
(CHEMBL4517977)
Show SMILES Cc1csc2n(Cc3nc[nH]c3C)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C20H20N4O2S/c1-13-11-27-19-17(13)18(25)23(9-8-15-6-4-3-5-7-15)20(26)24(19)10-16-14(2)21-12-22-16/h3-7,11-12H,8-10H2,1-2H3,(H,21,22)
NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40E+3n/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