Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50330622'   

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))	BDBM50330622 (1-Methyl-9-phenyl-3-(1-phenylethyl)pyrazolo[1',5':...) Show SMILES CC(c1ccccc1)n1nc(C)c2c3cc(nn3cnc2c1=O)-c1ccccc1 Show InChI InChI=1S/C23H19N5O/c1-15-21-20-13-19(18-11-7-4-8-12-18)26-27(20)14-24-22(21)23(29)28(25-15)16(2)17-9-5-3-6-10-17/h3-14,16H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	475	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
					More data for this Ligand-Target Pair