Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50151171'   

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))	BDBM50151171 (5-[4-(2-Chloro-quinolin-3-ylmethyl)-piperazin-1-yl...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cc3ccccc3nc2Cl)CC1 Show InChI InChI=1S/C22H20ClN9O/c23-18-15(12-14-4-1-2-5-16(14)25-18)13-30-7-9-31(10-8-30)21-27-20(24)32-22(28-21)26-19(29-32)17-6-3-11-33-17/h1-6,11-12H,7-10,13H2,(H2,24,26,27,28,29)	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 rat cerebral cortex adenosine A1 receptor				J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235
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