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BDBM50367266 CHEMBL605043

SMILES: COC(=O)C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NC(=O)C(F)(F)F

InChI Key: InChIKey=ZMEBBCYCERSHRM-BOSTTZRDSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50367266   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367266
PNG
(CHEMBL605043)
Show SMILES COC(=O)C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NC(=O)C(F)(F)F |r|
Show InChI InChI=1S/C30H30F3N7O8/c1-47-28(45)19(39-29(46)30(31,32)33)10-15-2-6-17(7-3-15)37-21(42)11-16-4-8-18(9-5-16)38-25-22-26(35-13-34-25)40(14-36-22)27-24(44)23(43)20(12-41)48-27/h2-9,13-14,19-20,23-24,27,41,43-44H,10-12H2,1H3,(H,37,42)(H,39,46)(H,34,35,38)/t19?,20-,23-,24-,27?/m1/s1
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PubMed
 18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.

J Med Chem 28: 1341-6 (1985)


BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair