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SMILES: CCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12

InChI Key: InChIKey=FABRULMJHVBZGJ-ATJVVDHWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138541   
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))		BDBM50138541
PNG
(CHEMBL151050 | Ethyl-thiocarbamic acid (2R,3S,4R)-...)
Show SMILES CCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12
Show InChI InChI=1S/C17H23ClN6O5S/c1-2-19-17(30)28-6-9-11(25)12(26)15(29-9)24-7-20-10-13(21-8-3-4-27-5-8)22-16(18)23-14(10)24/h7-9,11-12,15,25-26H,2-6H2,1H3,(H,19,30)(H,21,22,23)/t8?,9-,11-,12-,15?/m1/s1
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PubMed
 55n/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