Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50399566'   

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 (Homo sapiens (Human))	BDBM50399566 (CHEMBL2180937) Show SMILES Cn1cc2c(n1)nc(NCc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C19H14F3N7O/c1-28-10-13-15(26-28)25-18(23-9-11-4-6-12(7-5-11)19(20,21)22)29-17(13)24-16(27-29)14-3-2-8-30-14/h2-8,10H,9H2,1H3,(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membrane				J Med Chem 55: 9654-68 (2012) Article DOI: 10.1021/jm300899q BindingDB Entry DOI: 10.7270/Q2348MJK
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