Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50367595'   

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))	BDBM50367595 (CHEMBL609790) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCC3c4ccccc4-c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C25H25N5O4/c31-11-19-21(32)22(33)25(34-19)30-13-29-20-23(27-12-28-24(20)30)26-10-9-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,12-13,18-19,21-22,25,31-33H,9-11H2,(H,26,27,28)/t19-,21-,22-,25?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair