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SMILES: CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(=O)N3CCC(CC3)N(C)C)ncnc12

InChI Key: InChIKey=DMWRASQXUSJWLX-ONLLFZDPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50182313   
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 A3


(Homo sapiens (Human))		BDBM50182313
PNG
((2S,3S,4R,5R)-5-(6-(5-chloro-2-(2-(4-(dimethylamin...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(=O)N3CCC(CC3)N(C)C)ncnc12
Show InChI InChI=1S/C27H36ClN9O5/c1-30-26(40)23-20(29)22(39)27(42-23)37-14-34-21-24(32-13-33-25(21)37)31-11-15-10-16(28)4-5-18(15)41-12-19(38)36-8-6-17(7-9-36)35(2)3/h4-5,10,13-14,17,20,22-23,27,39H,6-9,11-12,29H2,1-3H3,(H,30,40)(H,31,32,33)/t20-,22+,23-,27+/m0/s1
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Similars
Article
PubMed
 9.10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor

Bioorg Med Chem Lett 16: 2525-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z
More data for this
Ligand-Target Pair