Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50156608'   

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))	BDBM50156608 ((7RS,9aRS)-2-furan-2-yl-5-[7-(4-methoxy-phenoxymet...) Show SMILES COc1ccc(OC[C@H]2CC[C@H]3CN(CCN3C2)c2nc(N)n3nc(nc3n2)-c2ccco2)cc1 |r| Show InChI InChI=1S/C24H28N8O3/c1-33-18-6-8-19(9-7-18)35-15-16-4-5-17-14-31(11-10-30(17)13-16)23-27-22(25)32-24(28-23)26-21(29-32)20-3-2-12-34-20/h2-3,6-9,12,16-17H,4-5,10-11,13-15H2,1H3,(H2,25,26,27,28,29)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3h]DPCPX from adenosine A receptor in rat cerebral cortex membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair