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BDBM50531433 CHEMBL4450633

SMILES: COCCn1c2sc(C(=O)N3CC(O)C3)c(C)c2c(=O)n(CCc2ccccc2)c1=O

InChI Key: InChIKey=DPGITMAUTQKSQY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50531433   
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))		BDBM50531433
PNG
(CHEMBL4450633)
Show SMILES COCCn1c2sc(C(=O)N3CC(O)C3)c(C)c2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C22H25N3O5S/c1-14-17-19(27)24(9-8-15-6-4-3-5-7-15)22(29)25(10-11-30-2)21(17)31-18(14)20(28)23-12-16(26)13-23/h3-7,16,26H,8-13H2,1-2H3
NCI pathway
Reactome pathway
KEGG

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n/an/a 200n/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