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BDBM50437191 CHEMBL2402023

SMILES: O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCCc3ccc(cc3)S(O)(=O)=O)nc(nc12)C#Cc1ccccc1

InChI Key: InChIKey=ODDDHQVHKBFNES-IRYUZJHDSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50437191   
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


(Mus musculus)		BDBM50437191
PNG
(CHEMBL2402023)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCCc3ccc(cc3)S(O)(=O)=O)nc(nc12)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C27H25N5O5S/c33-24-20-14-19(20)23(25(24)34)32-15-29-22-26(28-13-12-17-6-9-18(10-7-17)38(35,36)37)30-21(31-27(22)32)11-8-16-4-2-1-3-5-16/h1-7,9-10,15,19-20,23-25,33-34H,12-14H2,(H,28,30,31)(H,35,36,37)/t19-,20+,23+,24+,25-/m0/s1
UniProtKB/SwissProt

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PC sid
UniChem

Similars
Article
PubMed
 3.92E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from mouse adenosine A3 receptor expressed in HEK293 cell membranes aft...

J Med Chem 56: 5949-63 (2014)


Article DOI: 10.1021/jm4007966
BindingDB Entry DOI: 10.7270/Q2GX4D0R
More data for this
Ligand-Target Pair