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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 = 'BDBM50336990'   
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))		BDBM50336990
PNG
(CHEMBL1672620 | N-(6-Pyridin-2-yl-5-pyridin-4-ylpy...)
Show SMILES O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccccn1)C1CC1
Show InChI InChI=1S/C18H15N5O/c24-18(13-4-5-13)23-15-11-21-16(12-6-9-19-10-7-12)17(22-15)14-3-1-2-8-20-14/h1-3,6-11,13H,4-5H2,(H,22,23,24)
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 312n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay

ACS Med Chem Lett 2: 213-218 (2011)


Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10
More data for this
Ligand-Target Pair