Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50330639'   

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))	BDBM50330639 (3-Benzyl-1-(4-fluorophenyl)-9-thiophen-3-yl-pyrazo...) Show SMILES Fc1ccc(cc1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1 Show InChI InChI=1S/C25H16FN5OS/c26-19-8-6-17(7-9-19)23-22-21-12-20(18-10-11-33-14-18)28-31(21)15-27-24(22)25(32)30(29-23)13-16-4-2-1-3-5-16/h1-12,14-15H,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	123	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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