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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 = 'BDBM50086177'   
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))		BDBM50086177
PNG
(4-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)NC)cc1
Show InChI InChI=1S/C27H30N6O5/c1-4-14-32-24-22(26(36)33(15-5-2)27(32)37)30-23(31-24)17-8-12-20(13-9-17)38-16-21(34)29-19-10-6-18(7-11-19)25(35)28-3/h6-13H,4-5,14-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,31)
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PC sid
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Similars
PubMed
 24.8n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.

J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair