Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50199982'   

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 A1 (Homo sapiens (Human))	BDBM50199982 (2-[1-(3-methoxybenzyl)-1,2,3-triazol-4-yl)-N6-meth...) Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2cccc(OC)c2)nn1 |r| Show InChI InChI=1S/C21H24N8O5/c1-22-19-15-20(29(10-23-15)21-17(32)16(31)14(9-30)34-21)25-18(24-19)13-8-28(27-26-13)7-11-4-3-5-12(6-11)33-2/h3-6,8,10,14,16-17,21,30-32H,7,9H2,1-2H3,(H,22,24,25)/t14-,16-,17-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	957	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human Adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 7373-83 (2006) Article DOI: 10.1021/jm0608208 BindingDB Entry DOI: 10.7270/Q2K64HRJ
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