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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 = 'BDBM50367384'   
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))		BDBM50367384
PNG
(CHEMBL606504)
Show SMILES CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C22H28N6O4/c1-3-14(4-2)27-19-15-20(25-11-24-19)28(12-26-15)22-17(30)16(29)18(32-22)21(31)23-10-13-8-6-5-7-9-13/h5-9,11-12,14,16-18,22,29-30H,3-4,10H2,1-2H3,(H,23,31)(H,24,25,27)/t16-,17+,18-,22?/m0/s1
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n/an/a 104n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor

J Med Chem 29: 1683-9 (1986)


BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair