Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50410290'   

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 (BOVINE)	BDBM50410290 (CHEMBL2113642) Show SMILES C[C@@]1(O)[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H19ClIN5O4/c1-18(28)11(7-26)29-16(13(18)27)25-8-22-12-14(23-17(19)24-15(12)25)21-6-9-3-2-4-10(20)5-9/h2-5,8,11,13,16,26-28H,6-7H2,1H3,(H,21,23,24)/t11-,13+,16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX binding to adenosine A1 receptors of bovine cortical membranes				J Med Chem 48: 1550-62 (2005) Article DOI: 10.1021/jm049408n BindingDB Entry DOI: 10.7270/Q25X29PX
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