Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50187592'   

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))	BDBM50187592 (CHEMBL3827301) Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(O)cc1 Show InChI InChI=1S/C22H29N5O3/c1-3-5-12-26-19-18(20(29)27(22(26)30)13-6-4-2)25-15-7-14-24(21(25)23-19)16-8-10-17(28)11-9-16/h8-11,28H,3-7,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes				Bioorg Med Chem 24: 4347-4362 (2016) Article DOI: 10.1016/j.bmc.2016.07.028 BindingDB Entry DOI: 10.7270/Q2R49SQ5
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