Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50163424'   

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))	BDBM50163424 (CHEMBL175298 | N*5*-[(R)-1-(4-Chloro-benzyl)-pyrro...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H21ClN8O/c21-14-7-5-13(6-8-14)12-28-9-1-3-15(28)11-23-19-25-18(22)29-20(26-19)24-17(27-29)16-4-2-10-30-16/h2,4-8,10,15H,1,3,9,11-12H2,(H3,22,23,24,25,26,27)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]DPCPX binding to adenosine A1 receptor of rat cerebral cortex				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
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