Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50366573'   

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 (Rattus norvegicus (rat))	BDBM50366573 (CHEMBL607912) Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@@H](CN3C=Nc12)c1ccccc1 |r,c:20,t:14| Show InChI InChI=1S/C18H19N5O4/c24-7-12-14(25)15(26)18(27-12)23-9-19-13-16(23)20-8-22-6-11(21-17(13)22)10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,24-26H,6-7H2/t11-,12-,14-,15-,18?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Binding affinity for rat brain Adenosine A1 receptor				Bioorg Med Chem Lett 8: 695-8 (1999) BindingDB Entry DOI: 10.7270/Q2X63NGB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50366573 (CHEMBL607912) Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@@H](CN3C=Nc12)c1ccccc1 |r,c:20,t:14| Show InChI InChI=1S/C18H19N5O4/c24-7-12-14(25)15(26)18(27-12)23-9-19-13-16(23)20-8-22-6-11(21-17(13)22)10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,24-26H,6-7H2/t11-,12-,14-,15-,18?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat brain using [3H]R-PIA				Bioorg Med Chem Lett 8: 691-4 (1999) BindingDB Entry DOI: 10.7270/Q21Z44Z9
					More data for this Ligand-Target Pair