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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 = 'BDBM50018414'   
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))		BDBM50018414
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2ccc([Hg]OC(C)=O)s2)cc1
Show InChI InChI=1S/C27H31N6O5S.C2H4O2.Hg/c1-3-13-32-25-23(26(36)33(14-4-2)27(32)37)30-24(31-25)18-7-9-19(10-8-18)38-17-22(35)29-12-11-28-21(34)16-20-6-5-15-39-20;1-2(3)4;/h5-10H,3-4,11-14,16-17H2,1-2H3,(H,28,34)(H,29,35)(H,30,31);1H3,(H,3,4);/q;;+1/p-1
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PubMed
 16n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes

J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair