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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50231598'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50231598
PNG
(CHEMBL4101929)
Show SMILES CCCn1c(NCc2ccc(cc2)C(F)(F)F)nc2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C21H24F3N5O/c1-2-11-29-19(30)16-18(27-17(26-16)14-5-3-4-6-14)28-20(29)25-12-13-7-9-15(10-8-13)21(22,23)24/h7-10,14H,2-6,11-12H2,1H3,(H,25,28)(H,26,27)
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PC cid
PC sid
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Article
PubMed
 23n/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)


Article DOI: 10.1016/j.bmc.2017.02.029
BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair