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SMILES: O[C@@H]1[C@@H](COC(=S)NC2CCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12

InChI Key: InChIKey=YRUUGLUKUAGYBH-DNTSPBFFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138544   
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


(Homo sapiens (Human))		BDBM50138544
PNG
(CHEMBL356610 | Cyclopentyl-thiocarbamic acid (2R,3...)
Show SMILES O[C@@H]1[C@@H](COC(=S)NC2CCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C20H28N6O5S/c27-15-13(8-30-20(32)25-11-3-1-2-4-11)31-19(16(15)28)26-10-23-14-17(21-9-22-18(14)26)24-12-5-6-29-7-12/h9-13,15-16,19,27-28H,1-8H2,(H,25,32)(H,21,22,24)/t12?,13-,15-,16-,19?/m1/s1
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 72n/an/an/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand

Bioorg Med Chem Lett 14: 535-9 (2003)


BindingDB Entry DOI: 10.7270/Q2QZ29DN
More data for this
Ligand-Target Pair