Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50369974'   

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))	BDBM50369974 (CHEMBL611291) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CNCCc1ccc(CC(=O)OC)cc1 |r| Show InChI InChI=1S/C25H29N7O6/c1-3-28-24(36)21-19(34)20(35)25(38-21)32-13-29-18-22(26)30-16(31-23(18)32)9-11-27-10-8-14-4-6-15(7-5-14)12-17(33)37-2/h4-7,13,19-21,25,27,34-35H,3,8,10,12H2,1-2H3,(H,28,36)(H2,26,30,31)/t19-,20+,21-,25?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor in rat brain cortex				J Med Chem 44: 531-9 (2001) BindingDB Entry DOI: 10.7270/Q20Z740K
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