Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50385952'   

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))	BDBM50385952 (CHEMBL2042308) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(NC(=O)c4cc(cc(c4)C(C)(C)C)C(C)(C)C)cc3)nc12 |r| Show InChI InChI=1S/C49H58N8O5/c1-8-50-45(61)41-39(58)40(59)46(62-41)57-29-53-38-42(52-28-37(31-15-11-9-12-16-31)32-17-13-10-14-18-32)55-47(56-43(38)57)51-24-23-30-19-21-36(22-20-30)54-44(60)33-25-34(48(2,3)4)27-35(26-33)49(5,6)7/h9-22,25-27,29,37,39-41,46,58-59H,8,23-24,28H2,1-7H3,(H,50,61)(H,54,60)(H2,51,52,55,56)/t39-,40+,41-,46+/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	2.21E+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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