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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 = 'BDBM50187674'   
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


(Rattus norvegicus (rat))		BDBM50187674
PNG
(CHEMBL3828658)
Show SMILES CCCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H29N5O3/c1-3-11-26-19-18(20(29)27(12-4-2)22(26)30)25-14-5-13-24(21(25)23-19)15-10-16-6-8-17(28)9-7-16/h6-9,28H,3-5,10-15H2,1-2H3
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Article
PubMed
 370n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes

Bioorg Med Chem 24: 4347-4362 (2016)


Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5
More data for this
Ligand-Target Pair