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

InChI Key: InChIKey=HOOBZKZMNQDNOQ-MQWPZHSDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138524   
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))		BDBM50138524
PNG
(Allyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5...)
Show SMILES O[C@@H]1[C@@H](COC(=S)NCC=C)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C18H24N6O5S/c1-2-4-19-18(30)28-7-11-13(25)14(26)17(29-11)24-9-22-12-15(20-8-21-16(12)24)23-10-3-5-27-6-10/h2,8-11,13-14,17,25-26H,1,3-7H2,(H,19,30)(H,20,21,23)/t10?,11-,13-,14-,17?/m1/s1
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 35n/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