Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50176850'   

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)	BDBM50176850 (CHEMBL223450 | sec-butyl 1-(2-chloro-2-phenylethyl...) Show SMILES CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OC(C)CC Show InChI InChI=1S/C22H27ClN4O2/c1-4-11-24-20-17-13-26-27(14-19(23)16-9-7-6-8-10-16)21(17)25-12-18(20)22(28)29-15(3)5-2/h6-10,12-13,15,19H,4-5,11,14H2,1-3H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	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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