Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50003621'   

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))	BDBM50003621 (CHEMBL3234965) Show SMILES Nc1nc(SCc2cscn2)nc(-c2ccc3OCOc3c2)c1C#N Show InChI InChI=1S/C16H11N5O2S2/c17-4-11-14(9-1-2-12-13(3-9)23-8-22-12)20-16(21-15(11)18)25-6-10-5-24-7-19-10/h1-3,5,7H,6,8H2,(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting analysis				J Med Chem 57: 3213-22 (2014) Article DOI: 10.1021/jm401643m BindingDB Entry DOI: 10.7270/Q27P90X6
					More data for this Ligand-Target Pair