Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50316875'   

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))	BDBM50316875 (2-amino-4-phenyl-8-(piperazine-1-carbonyl)-5H-inde...) Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)N1CCNCC1 Show InChI InChI=1S/C22H19N5O2/c23-22-25-18(13-4-2-1-3-5-13)17-19(26-22)16-12-14(6-7-15(16)20(17)28)21(29)27-10-8-24-9-11-27/h1-7,12,24H,8-11H2,(H2,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonistic activity at adenosine A1 receptor				Bioorg Med Chem Lett 20: 2868-71 (2010) Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB
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