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SMILES: CCCn1c(Nc2cccc(c2)C(F)(F)F)nc2nc([nH]c2c1=O)C1CCCC1

InChI Key: InChIKey=VSYYYHKLAUXMCY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50231734   
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))		BDBM50231734
PNG
(CHEMBL4067683)
Show SMILES CCCn1c(Nc2cccc(c2)C(F)(F)F)nc2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C20H22F3N5O/c1-2-10-28-18(29)15-17(26-16(25-15)12-6-3-4-7-12)27-19(28)24-14-9-5-8-13(11-14)20(21,22)23/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,24,27)(H,25,26)
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PubMed
 370n/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