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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 = 'BDBM50014271'   
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))		BDBM50014271
PNG
(7-Hexyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-...)
Show SMILES CCCCCCn1c(C)c(C)c2c(N)ncnc12
Show InChI InChI=1S/C14H22N4/c1-4-5-6-7-8-18-11(3)10(2)12-13(15)16-9-17-14(12)18/h9H,4-8H2,1-3H3,(H2,15,16,17)
PDB

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PC cid
PC sid
UniChem
PubMed
 6.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair