Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3 [I248L]' and Ligand = 'BDBM175368'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adenosine receptor A3 [I248L] (Homo sapiens (Human))	BDBM175368 (1,3-Dimethyl-8-[4-{2-(dimethylaminoethylamino)-2-o...) Show SMILES CN(C)CCNC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C19H24N6O4/c1-23(2)10-9-20-14(26)11-29-13-7-5-12(6-8-13)16-21-15-17(22-16)24(3)19(28)25(4)18(15)27/h5-8H,9-11H2,1-4H3,(H,20,26)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
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