Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50385945'   

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))	BDBM50385945 (CHEMBL2042301) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(NC(=O)c4cc(cc(c4)C(C)(C)C)C(C)(C)C)cc3)nc12 |r| Show InChI InChI=1S/C35H46N8O5/c1-8-37-31(47)27-25(44)26(45)32(48-27)43-18-39-24-28(36)41-33(42-29(24)43)38-14-13-19-9-11-23(12-10-19)40-30(46)20-15-21(34(2,3)4)17-22(16-20)35(5,6)7/h9-12,15-18,25-27,32,44-45H,8,13-14H2,1-7H3,(H,37,47)(H,40,46)(H3,36,38,41,42)/t25-,26+,27-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation				J Med Chem 55: 3521-34 (2012) Article DOI: 10.1021/jm300206u BindingDB Entry DOI: 10.7270/Q2FT8N35
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