Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50051663'   

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))	BDBM50051663 (2-(4-Chloro-phenyl)-5,6-dimethyl-7-((R)-1-phenyl-e...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c1nc([nH]c2=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20ClN3O/c1-13-14(2)26(15(3)16-7-5-4-6-8-16)21-19(13)22(27)25-20(24-21)17-9-11-18(23)12-10-17/h4-12,15H,1-3H3,(H,24,25,27)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Radioligand binding assay for [3H]-PIA affinity towards Adenosine A1 receptor of rat cerebral cortical membrane				J Med Chem 39: 2482-91 (1996) Article DOI: 10.1021/jm960011w BindingDB Entry DOI: 10.7270/Q27H1HPH
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