Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50375521'   

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))	BDBM50375521 (CHEMBL262850) Show SMILES CC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:17:18:22.21:24| Show InChI InChI=1S/C19H26N6O4/c1-9(26)20-6-13-15(27)16(28)19(29-13)25-8-23-14-17(21-7-22-18(14)25)24-12-5-10-2-3-11(12)4-10/h7-8,10-13,15-16,19,27-28H,2-6H2,1H3,(H,20,26)(H,21,22,24)/t10-,11-,12-,13+,15+,16+,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells				Bioorg Med Chem 16: 1861-73 (2008) Article DOI: 10.1016/j.bmc.2007.11.010 BindingDB Entry DOI: 10.7270/Q29K4C44
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375521 (CHEMBL262850) Show SMILES CC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:17:18:22.21:24| Show InChI InChI=1S/C19H26N6O4/c1-9(26)20-6-13-15(27)16(28)19(29-13)25-8-23-14-17(21-7-22-18(14)25)24-12-5-10-2-3-11(12)4-10/h7-8,10-13,15-16,19,27-28H,2-6H2,1H3,(H,20,26)(H,21,22,24)/t10-,11-,12-,13+,15+,16+,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	605	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells				Bioorg Med Chem 16: 1861-73 (2008) Article DOI: 10.1016/j.bmc.2007.11.010 BindingDB Entry DOI: 10.7270/Q29K4C44
					More data for this Ligand-Target Pair