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SMILES: CCCn1c(Oc2ccc3[nH]ccc3c2)nc2nc([nH]c2c1=O)C1CCCC1

InChI Key: InChIKey=XXDULNLVFUDCAT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50231704   
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 A1


(Homo sapiens (Human))		BDBM50231704
PNG
(CHEMBL4099951)
Show SMILES CCCn1c(Oc2ccc3[nH]ccc3c2)nc2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C21H23N5O2/c1-2-11-26-20(27)17-19(24-18(23-17)13-5-3-4-6-13)25-21(26)28-15-7-8-16-14(12-15)9-10-22-16/h7-10,12-13,22H,2-6,11H2,1H3,(H,23,24)
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Similars
PubMed
 36n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins

Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair