Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50224363'   

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))	BDBM50224363 (4-amino-8-chloro-2-p-tolyl-3,3a,5,9b-tetraaza-cycl...) Show SMILES Cc1ccc(cc1)-c1nn2c(N)nc3ccc(Cl)cc3n2c1=O Show InChI InChI=1S/C16H12ClN5O/c1-9-2-4-10(5-3-9)14-15(23)21-13-8-11(17)6-7-12(13)19-16(18)22(21)20-14/h2-8H,1H3,(H2,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX
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