Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50112196'   

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))	BDBM50112196 (CHEMBL301116 | N-[5-(6-Cyclopentylamino-purin-9-yl...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCOc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C25H32N6O4/c1-16-20(30-19(32)12-7-13-34-18-10-3-2-4-11-18)22(33)25(35-16)31-15-28-21-23(26-14-27-24(21)31)29-17-8-5-6-9-17/h2-4,10-11,14-17,20,22,25,33H,5-9,12-13H2,1H3,(H,30,32)(H,26,27,29)/t16-,20+,22-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	473	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Binding affinity at rat Adenosine A1 receptor in the absence of GTP				J Med Chem 45: 1845-52 (2002) BindingDB Entry DOI: 10.7270/Q20001DD
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