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SMILES: CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#CC1CC1

InChI Key: InChIKey=KACDYWRIXSDQIM-DGHOPUIGSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 434806   
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))		BDBM434806
PNG
(US10577368, Compound 20)
Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#CC1CC1 |r|
Show InChI InChI=1S/C19H22N6O3/c1-20-16-12-17(24-11(23-16)6-5-9-3-4-9)25(8-22-12)13-10-7-19(10,18(28)21-2)15(27)14(13)26/h8-10,13-15,26-27H,3-4,7H2,1-2H3,(H,21,28)(H,20,23,24)/t10?,13-,14+,15?,19-/m1/s1
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US Patent
 1.15n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University

US Patent


Assay Description
[3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...

US Patent US10577368 (2020)


BindingDB Entry DOI: 10.7270/Q2HH6NGV
More data for this
Ligand-Target Pair