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SMILES: CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccc(Br)s1

InChI Key: InChIKey=HDCUHNUIEIAZHC-WCXFLZKMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 434826   
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))		BDBM434826
PNG
(US10577368, Compound 111)
Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccc(Br)s1 |r|
Show InChI InChI=1S/C20H20BrN9O3S/c1-22-16-12-17(26-19(25-16)30-6-9(27-28-30)10-3-4-11(21)34-10)29(7-24-12)13-8-5-20(8,18(33)23-2)15(32)14(13)31/h3-4,6-8,13-15,31-32H,5H2,1-2H3,(H,23,33)(H,22,25,26)/t8?,13-,14+,15?,20-/m1/s1
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US Patent
 0.580n/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