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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50500121'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A3


(Mus musculus)		BDBM50500121
PNG
(CHEMBL3745851)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC3CCC3)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1)C(=O)NC |r|
Show InChI InChI=1S/C23H24ClN9O3S/c1-25-21(36)23-7-11(23)16(17(34)18(23)35)32-9-26-15-19(27-10-3-2-4-10)28-22(29-20(15)32)33-8-12(30-31-33)13-5-6-14(24)37-13/h5-6,8-11,16-18,34-35H,2-4,7H2,1H3,(H,25,36)(H,27,28,29)/t11-,16-,17+,18+,23+/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 14n/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-methyl-uronamide from mouse adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair