Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50176819'   

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 (BOVINE)	BDBM50176819 (CHEMBL225026 | methyl 4-(benzylamino)-1-(2-chloro-...) Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1 Show InChI InChI=1S/C23H21ClN4O2/c1-30-23(29)19-13-26-22-18(21(19)25-12-16-8-4-2-5-9-16)14-27-28(22)15-20(24)17-10-6-3-7-11-17/h2-11,13-14,20H,12,15H2,1H3,(H,25,26)	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 degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
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