Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50366769'   

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))	BDBM50366769 (CHEMBL611274) Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12 Show InChI InChI=1S/C22H26N10O7/c1-2-23-21(35)18-16(33)17(34)22(38-18)31-10-28-15-19(26-9-27-20(15)31)25-8-4-3-7-24-11-5-6-12(32(36)37)14-13(11)29-39-30-14/h5-6,9-10,16-18,22,24,33-34H,2-4,7-8H2,1H3,(H,23,35)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Affinity for Adenosine A1 receptor by displacement of [3H]DPCPX from human cerebral cortex				Bioorg Med Chem Lett 11: 3023-6 (2001) BindingDB Entry DOI: 10.7270/Q2RJ4K0H
					More data for this Ligand-Target Pair