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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 = 'BDBM50044433'   
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


(BOVINE)		BDBM50044433
PNG
(CHEMBL82222 | N-{4-[2-(8-Cyclopentyl-2,6-dioxo-1-p...)
Show SMILES CCCn1c(=O)n(CCc2ccc(NC(=O)C(C)C)cc2)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C25H33N5O3/c1-4-14-30-24(32)20-22(28-21(27-20)18-7-5-6-8-18)29(25(30)33)15-13-17-9-11-19(12-10-17)26-23(31)16(2)3/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,26,31)(H,27,28)
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PubMed
 16n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A1 receptor of bovine brain at 10e-5 M with [125I]-N6-aminobenzyladenosine

J Med Chem 36: 2508-18 (1993)


BindingDB Entry DOI: 10.7270/Q2GX4C5K
More data for this
Ligand-Target Pair