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SMILES: O[C@@H]1[C@@H](COC(=O)NC2CCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12

InChI Key: InChIKey=VWFLOFMOVISAHQ-WFIMNSBASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138549   
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))		BDBM50138549
PNG
(CHEMBL149735 | Cyclobutyl-carbamic acid (2R,3S,4R)...)
Show SMILES O[C@@H]1[C@@H](COC(=O)NC2CCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C19H26N6O6/c26-14-12(7-30-19(28)24-10-2-1-3-10)31-18(15(14)27)25-9-22-13-16(20-8-21-17(13)25)23-11-4-5-29-6-11/h8-12,14-15,18,26-27H,1-7H2,(H,24,28)(H,20,21,23)/t11?,12-,14-,15-,18?/m1/s1
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 306n/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