Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50370540'   

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))	BDBM50370540 (CHEMBL610829) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)ncnc12 |r,TLB:38:37:40:33.32.34,38:33:40:37.39.36,THB:36:35:32:37.39.38,36:37:32:35.40.34| Show InChI InChI=1S/C29H36N8O7S/c1-2-30-26(40)23-21(38)22(39)27(44-23)37-14-33-20-24(31-13-32-25(20)37)35-28(41)34-18-3-5-19(6-4-18)45(42,43)36-29-10-15-7-16(11-29)9-17(8-15)12-29/h3-6,13-17,21-23,27,36,38-39H,2,7-12H2,1H3,(H,30,40)(H2,31,32,34,35,41)/t15?,16?,17?,21-,22+,23-,27?,29?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	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 binding to Adenosine A1 receptor expressed in CHO cells				J Med Chem 47: 5535-40 (2004) Article DOI: 10.1021/jm0408161 BindingDB Entry DOI: 10.7270/Q23F4QDM
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