Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50156631'   

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))	BDBM50156631 (CHEMBL221947 | N7-(((7S,9aR)-2-(2,4-difluorobenzyl...) Show SMILES Nc1nc(NC[C@@H]2CC[C@@H]3CN(Cc4ccc(F)cc4F)CCN3C2)cc2nc(nn12)-c1ccco1 |r| Show InChI InChI=1S/C25H28F2N8O/c26-18-5-4-17(20(27)10-18)14-33-7-8-34-13-16(3-6-19(34)15-33)12-29-22-11-23-31-24(21-2-1-9-36-21)32-35(23)25(28)30-22/h1-2,4-5,9-11,16,19,29H,3,6-8,12-15H2,(H2,28,30)/t16-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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
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