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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 = 'BDBM50047182'   
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))		BDBM50047182
PNG
(8-[2-(3-Methoxy-phenyl)-vinyl]-1,3,7-trimethyl-3,7...)
Show SMILES COc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C17H18N4O3/c1-19-13(9-8-11-6-5-7-12(10-11)24-4)18-15-14(19)16(22)21(3)17(23)20(15)2/h5-10H,1-4H3/b9-8+
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
 5.43E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair