Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50156630'   

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))	BDBM50156630 ((6RS,9aSR)-2-furan-2-yl-5-[6-(1H-indol-5-yloxymeth...) Show SMILES Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](COc3ccc4[nH]ccc4c3)CCC[C@H]2C1 |r| Show InChI InChI=1S/C26H28N8O2/c27-23-14-24(29-26-30-25(31-34(23)26)22-5-2-12-35-22)32-10-11-33-18(15-32)3-1-4-19(33)16-36-20-6-7-21-17(13-20)8-9-28-21/h2,5-9,12-14,18-19,28H,1,3-4,10-11,15-16,27H2/t18-,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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