Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50199978'   

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))	BDBM50199978 (2-[4-(2-hydroxyethyl)-1,2,3-triazol-1-yl]-N6-methy...) Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CCO)nn1 |r| Show InChI InChI=1S/C15H20N8O5/c1-16-12-9-13(19-15(18-12)23-4-7(2-3-24)20-21-23)22(6-17-9)14-11(27)10(26)8(5-25)28-14/h4,6,8,10-11,14,24-27H,2-3,5H2,1H3,(H,16,18,19)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.27E+3	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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