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SMILES: CCCn1c(Nc2ccc(F)cc2)nc2nc([nH]c2c1=O)C1CCCC1

InChI Key: InChIKey=UOZZRUQZHWNQEW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50231601   
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))		BDBM50231601
PNG
(CHEMBL4095098)
Show SMILES CCCn1c(Nc2ccc(F)cc2)nc2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C19H22FN5O/c1-2-11-25-18(26)15-17(23-16(22-15)12-5-3-4-6-12)24-19(25)21-14-9-7-13(20)8-10-14/h7-10,12H,2-6,11H2,1H3,(H,21,24)(H,22,23)
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PC cid
PC sid
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PubMed
>1.00E+3n/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