Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50367276'   

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 (Rattus norvegicus (rat))	BDBM50367276 (CHEMBL606511) Show SMILES CNC(=O)CNC(=O)C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C35H43N9O9/c1-35(2,3)53-34(51)43-23(32(50)37-15-26(47)36-4)13-19-5-9-21(10-6-19)41-25(46)14-20-7-11-22(12-8-20)42-30-27-31(39-17-38-30)44(18-40-27)33-29(49)28(48)24(16-45)52-33/h5-12,17-18,23-24,28-29,33,45,48-49H,13-16H2,1-4H3,(H,36,47)(H,37,50)(H,41,46)(H,43,51)(H,38,39,42)/t23?,24-,28-,29-,33?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.				J Med Chem 28: 1341-6 (1985) BindingDB Entry DOI: 10.7270/Q2BP03CS
					More data for this Ligand-Target Pair