Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50330628'   

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))	BDBM50330628 (3-Benzyl-9-phenyl-6-n-propyl-1-pyridin-4-yl-pyrazo...) Show SMILES CCCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C29H24N6O/c1-2-9-25-31-28-26(24-18-23(32-35(24)25)21-12-7-4-8-13-21)27(22-14-16-30-17-15-22)33-34(29(28)36)19-20-10-5-3-6-11-20/h3-8,10-18H,2,9,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem 18: 7890-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510
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