Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50205582'   

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))	BDBM50205582 (1-deoxy-1-[6-{4-[(2-trifluoromethyl-phenylcarbamoy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C27H26F3N7O6/c1-2-31-25(41)22-20(39)21(40)26(43-22)37-13-34-19-23(32-12-33-24(19)37)35-14-7-9-15(10-8-14)42-11-18(38)36-17-6-4-3-5-16(17)27(28,29)30/h3-10,12-13,20-22,26,39-40H,2,11H2,1H3,(H,31,41)(H,36,38)(H,32,33,35)/t20-,21+,22-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
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