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

InChI Key: InChIKey=VFFAFWJJXOHHOJ-MQWPZHSDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138547   
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))		BDBM50138547
PNG
(CHEMBL151169 | Isopropyl-carbamic acid (2R,3S,4R)-...)
Show SMILES CC(C)NC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C18H26N6O6/c1-9(2)22-18(27)29-6-11-13(25)14(26)17(30-11)24-8-21-12-15(19-7-20-16(12)24)23-10-3-4-28-5-10/h7-11,13-14,17,25-26H,3-6H2,1-2H3,(H,22,27)(H,19,20,23)/t10?,11-,13-,14-,17?/m1/s1
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 78n/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