Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50276940'   

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))	BDBM50276940 (CHEMBL460201 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...) Show SMILES Clc1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 Show InChI InChI=1S/C24H17ClN6O/c25-19-14-8-7-13-18(19)24(32)28-22-20-23(27-21(26-22)17-11-5-2-6-12-17)31(30-29-20)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,26,27,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat brain cortex by liquid scintillation counting				Bioorg Med Chem 17: 1817-30 (2009) Article DOI: 10.1016/j.bmc.2009.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WPZ
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