Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50091122'   

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)	BDBM50091122 (CHEMBL317270 | Cyclopentyl-[2-(3-fluoro-phenyl)-2H...) Show SMILES Fc1cccc(c1)-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21 Show InChI InChI=1S/C21H19FN4/c22-14-6-5-9-16(12-14)26-13-18-17-10-3-4-11-19(17)24-21(20(18)25-26)23-15-7-1-2-8-15/h3-6,9-13,15H,1-2,7-8H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Firenze Curated by ChEMBL					Assay Description Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes				J Med Chem 43: 3118-24 (2000) BindingDB Entry DOI: 10.7270/Q28S4P52
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